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benzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.2]oct-5-en-2-yl)carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.2]oct-5-en-2-yl)carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID LnGXFHJvxew
InChI InChI=1S/C21H25NO5S/c1-2-27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-9-12(10-8-11)16(15)20(24)25/h7,9,11-12,15-16H,2-6,8,10H2,1H3,(H,22,23)(H,24,25)
InChIKey QERIVNSKODKBSH-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jj7xCB0R681
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.2]oct-5-en-2-yl)carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H25NO5S/c1-2-27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-9-12(10-8-11)16(15)20(24)25/h7,9,11-12,15-16H,2-6,8,10H2,1H3,(H,22,23)(H,24,25)
InChIKey QERIVNSKODKBSH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_102
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10318383