SpectraBase Spectrum ID |
BN8ulFkrPGV |
Name |
benzo[b]thiophene-3-carboxylic acid, 2-[[(3,4-diethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydro-, methyl 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 |
417.160994142 u |
Formula |
C22H27NO5S |
InChI |
InChI=1S/C22H27NO5S/c1-4-27-16-11-10-14(12-17(16)28-5-2)13-19(24)23-21-20(22(25)26-3)15-8-6-7-9-18(15)29-21/h10-12H,4-9,13H2,1-3H3,(H,23,24) |
InChIKey |
DXSCMTXHKCOPDZ-UHFFFAOYSA-N |
Molecular Weight |
417.520 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_17829 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11251976; Lab Info: PNA; Lab Number: PNA-0000002 |