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3-{[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}-1-methyl-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID ISwMuKp93fB
InChI InChI=1S/C15H15N3O5S/c1-18-9(14(20)21)6-8(17-18)12(19)16-13-11(15(22)23)7-4-2-3-5-10(7)24-13/h6H,2-5H2,1H3,(H,16,19)(H,20,21)(H,22,23)
InChIKey JGEFBCMRZRYLBE-UHFFFAOYSA-N
Mol Weight 349.36 g/mol
Molecular Formula C15H15N3O5S
Exact Mass 349.073242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DgQWKN2b4Pj
Name 3-{[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}-1-methyl-1H-pyrazole-5-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/C15H15N3O5S/c1-18-9(14(20)21)6-8(17-18)12(19)16-13-11(15(22)23)7-4-2-3-5-10(7)24-13/h6H,2-5H2,1H3,(H,16,19)(H,20,21)(H,22,23)
InChIKey JGEFBCMRZRYLBE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16535
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: UZI/1025350; Labnumber: OLG0827; UZI_ID: UZI-016539
Temperature 318 °C