SpectraBase Spectrum ID |
EU7RdjyiZlE |
Name |
benzoic acid, 4-[[(6-carboxy-3,4-dimethyl-3-cyclohexen-1-yl)carbonyl]amino]-, butyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
373.188922968 u |
Formula |
C21H27NO5 |
InChI |
InChI=1S/C21H27NO5/c1-4-5-10-27-21(26)15-6-8-16(9-7-15)22-19(23)17-11-13(2)14(3)12-18(17)20(24)25/h6-9,17-18H,4-5,10-12H2,1-3H3,(H,22,23)(H,24,25) |
InChIKey |
CARGTECPHKJDLX-UHFFFAOYSA-N |
Molecular Weight |
373.449 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_15478 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/10037775; Lab Info: BOS; Lab Number: BOS-sbi1468 |