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3-{[3-(methylsulfanyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID AL0rxVy9DRD
InChI InChI=1S/C15H15NO4S/c1-21-9-4-2-3-8(7-9)16-14(17)12-10-5-6-11(20-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)
InChIKey YFSIDMCOOIWPEQ-UHFFFAOYSA-N
Mol Weight 305.35 g/mol
Molecular Formula C15H15NO4S
Exact Mass 305.072179 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ETMKCHHOnim
Name 3-{[3-(methylsulfanyl)anilino]carbonyl}-7-oxabicyclo[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/C15H15NO4S/c1-21-9-4-2-3-8(7-9)16-14(17)12-10-5-6-11(20-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)
InChIKey YFSIDMCOOIWPEQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1078
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: ZI/8040079; Labnumber: BOS-bs80752; IOH_ID: IOH-001079
Temperature 303 °C