SpectraBase Spectrum ID |
5AzybQMEWTV |
Name |
2-azetidinemethanaminium, 3-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)-4-oxo-, chloride |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
516.158262850 u |
Formula |
C27H30Cl2N2O4 |
InChI |
InChI=1S/C27H29ClN2O4.ClH/c1-18-6-4-5-7-22(18)30-23(26(27(30)31)34-21-11-9-20(28)10-12-21)17-29-15-14-19-8-13-24(32-2)25(16-19)33-3;/h4-13,16,23,26,29H,14-15,17H2,1-3H3;1H |
InChIKey |
NHUWUJOIAOAMOS-UHFFFAOYSA-N |
Molecular Weight |
517.453 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5692 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12708805 |