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3-{[2-(phenylsulfanyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID 2rzHKtL33BW
InChI InChI=1S/C21H19NO3S/c23-20(18-13-10-11-14(12-13)19(18)21(24)25)22-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-11,13-14,18-19H,12H2,(H,22,23)(H,24,25)/t13-,14+,18-,19-/m0/s1
InChIKey HTZDTCDRIHBIKK-FTUNRGFVSA-N
Mol Weight 365.45 g/mol
Molecular Formula C21H19NO3S
Exact Mass 365.108565 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IUZfOBwcES8
Name 3-{[2-(phenylsulfanyl)anilino]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/C21H19NO3S/c23-20(18-13-10-11-14(12-13)19(18)21(24)25)22-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-11,13-14,18-19H,12H2,(H,22,23)(H,24,25)/t13-,14+,18-,19-/m0/s1
InChIKey HTZDTCDRIHBIKK-FTUNRGFVSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_29739
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: 1139045; SBI_ID: SBI-029743
Temperature 303 °C