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3-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID BkuTeIiO2kk
InChI InChI=1S/C21H25NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h7-8,10-12,15-16H,3-6,9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey GIEMGXFJMDURAZ-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 6kTMskejNdl
Name 3-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
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/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h7-8,10-12,15-16H,3-6,9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey GIEMGXFJMDURAZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34576
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: 9076517; SBI_ID: SBI-034580
Temperature 318 °C