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benzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.1]hept-2-yl)carbonyl]amino]-4,5,6,7-tetrahydro-, propyl ester

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benzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.1]hept-2-yl)carbonyl]amino]-4,5,6,7-tetrahydro-, propyl ester
SpectraBase Compound ID 3HJ5TCJyCOy
InChI InChI=1S/C21H27NO5S/c1-2-9-27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(10-11)16(15)20(24)25/h11-12,15-16H,2-10H2,1H3,(H,22,23)(H,24,25)/t11-,12+,15?,16-/m1/s1
InChIKey HRLXEJZZCIFVET-VPACOFPVSA-N
Mol Weight 405.51 g/mol
Molecular Formula C21H27NO5S
Exact Mass 405.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DtVpRJtid8n
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.1]hept-2-yl)carbonyl]amino]-4,5,6,7-tetrahydro-, propyl 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/C21H27NO5S/c1-2-9-27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(10-11)16(15)20(24)25/h11-12,15-16H,2-10H2,1H3,(H,22,23)(H,24,25)/t11-,12+,15?,16-/m1/s1
InChIKey HRLXEJZZCIFVET-VPACOFPVSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3599
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/10228468