SpectraBase Spectrum ID |
4PkXMgsxu72 |
Name |
benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
460.145678431 u |
Formula |
C26H24N2O4S |
InChI |
InChI=1S/C26H24N2O4S/c1-3-31-26(30)23-20-6-4-5-7-22(20)33-25(23)28-24(29)18(15-27)14-19-12-13-21(32-19)17-10-8-16(2)9-11-17/h8-14H,3-7H2,1-2H3,(H,28,29)/b18-14- |
InChIKey |
CVPBPEFGJYPECO-JXAWBTAJSA-N |
Molecular Weight |
460.548 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_9204 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9245030; Lab Info: OBU; Lab Number: OBU-B000007 |