SpectraBase Spectrum ID |
CPIajkJBjQw |
Name |
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-2-hydroxy-3-(4-nitrophenoxy)-1-propanaminium chloride |
Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
466.187064420 u |
Formula |
C23H31ClN2O6 |
InChI |
InChI=1S/C23H30N2O6.ClH/c1-29-21-10-5-17(13-22(21)30-2)23(11-3-4-12-23)16-24-14-19(26)15-31-20-8-6-18(7-9-20)25(27)28;/h5-10,13,19,24,26H,3-4,11-12,14-16H2,1-2H3;1H |
InChIKey |
PXMIAMMGHIJUMH-UHFFFAOYSA-N |
Molecular Weight |
466.962 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_1393 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12269707 |