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22886 research outputs found
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distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
13C nuclear magnetic resonance spectroscopy (13C NMR) ()
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 148.8 (Cq), 146.4 (Cq), 139.3 (Cq), 136.2 (CH), 130.2 (Cq), 130.0 (CH, 2C), 128.5 (CH, 2C), 119.0 (CH), 111.4 (Cq), 85.1 (Cq), 57.2 (CH2), 31.2 (CH2), 25.1 (CH2), 22.2 (CH2), 21.2 (CH3), 13.8 (CH3). Impurities: 26.9 ppm (cyclohexane)
heteronuclear multiple bond coherence (HMBC) ()
No full textdataset for heteronuclear multiple bond coherence (HMBC
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
heteronuclear single quantum coherence (HSQC) ()
No full textdataset for heteronuclear single quantum coherence (HSQC
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (FAB, 3-NBA), m/z (%): 361/363 (100/35) [M+1]+, 345 (10), 333 (11), 315 (16), 133 (24).HRMS–FAB (C16H18O2N6Cl) (m/z): [M + H]+ Calcd 361.1174; Found 361.1176
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (EI, 70 eV, 80 °C), m/z (%): 238 (17) [M]+, 105 (100).HRMS–EI (C12H10N6) (m/z): [M]+ Calcd 238.0961; Found 238.0962
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (FAB, 3-NBA), m/z (%): 406 (100) [M+1]+, 318 (23), 290 (33), 127 (63), 95 (11), 91 (12).HRMS–FAB (C18H18O4N5F2) (m/z): [M + H]+ Calcd 406.1321; Found 406.1322.The higher masses are impurities from the device.
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.28 (s, 1H), 8.06 (s, 1H), 6.85–6.77 (m, 3H), 5.32 (s, 2H), 5.28 (s, 2H), 4.21 (q, J = 7.1 Hz, 2H), 2.06 (s, 3H), 1.23 (t, J = 7.2 Hz, 3H)
19F nuclear magnetic resonance spectroscopy (19F NMR) ()
No full textdataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
19F NMR (376 MHz, ppm) δ = -107.74