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22886 research outputs found
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heteronuclear multiple bond coherence (HMBC) ()
dataset for heteronuclear multiple bond coherence (HMBC
distortionless enhancement with polarization transfer (DEPT) ()
dataset for distortionless enhancement with polarization transfer (DEPT
mass spectrometry (MS) ()
dataset for mass spectrometry (MS)
MS (EI, 70 eV, 17 °C), m/z (%): 326 (12) [M]+, 298 (92), 181 (17), 131 (15), 91 (100), 69 (19). HRMS–EI (C19H14N6) (m/z): [M]+ Calcd 326.1280; Found 326.1281
distortionless enhancement with polarization transfer (DEPT) ()
dataset for distortionless enhancement with polarization transfer (DEPT)
13C NMR (100 MHz, CDCl3, ppm) δ = 135.6 (+, CH), 130.2 (+, CH, 2C; d, J = 8.4 Hz), 116.1 (+, CH, 2C; d, J = 21.8 Hz), 49.9 (+, CH), 46.6 (+, CH)
distortionless enhancement with polarization transfer (DEPT) ()
dataset for distortionless enhancement with polarization transfer (DEPT)
13C NMR (100 MHz, CDCl3, ppm) δ = 142.5 (+, CH), 129.7 (+, CH, 2C; d, J = 8.2 Hz), 115.6 (+, CH, 2C; d, J = 21.6 Hz), 51.5 (+, CH), 48.1 (+, CH)
distortionless enhancement with polarization transfer (DEPT) ()
dataset for distortionless enhancement with polarization transfer (DEPT
distortionless enhancement with polarization transfer (DEPT) ()
dataset for distortionless enhancement with polarization transfer (DEPT
mass spectrometry (MS) ()
dataset for mass spectrometry (MS)
MS (FAB, 3-NBA), m/z (%): 436/438 (100/92) [M+1]+, 390/392 (28/27), 335/337 (14/15), 307/309 (20/20), 169/171 (56/53), 100 (61). HRMS–FAB (C19H27O2N5Br) (m/z): [M + H]+ Calcd 436.1343; Found 436.1341
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.27 (d, J = 9.2 Hz, 2H), 8.10 (d, J = 9.0 Hz, 2H), 6.11 (s, 1H), 5.07 (sept, J = 6.9 Hz, 1H), 4.08 (sept, J = 6.5 Hz, 1H), 2.34 (s, 3H), 1.40 (d, J = 6.6 Hz, 6H), 1.29 (d, J = 6.7 Hz, 6H)
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, ppm) δ = 7.96–7.93 (m, 2H), 7.61–7.58 (m, 2H), 6.01 (s, 1H), 4.96 (sept, J = 6.8 Hz, 1H), 3.98 (sept, J = 6.7 Hz, 1H), 2.38 (s, 3H), 1.31 (d, J = 6.5 Hz, 6H), 1.19 (d, J = 6.8 Hz, 6H)