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2-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
SpectraBase Compound ID 7ot5W3jC6HN
InChI InChI=1S/C17H22N2O4S/c18-14(20)13-11-7-3-4-8-12(11)24-16(13)19-15(21)9-5-1-2-6-10(9)17(22)23/h9-10H,1-8H2,(H2,18,20)(H,19,21)(H,22,23)
InChIKey OFSGNJCEUBTMGV-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BKIT62E60EZ
Name 2-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic 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/C17H22N2O4S/c18-14(20)13-11-7-3-4-8-12(11)24-16(13)19-15(21)9-5-1-2-6-10(9)17(22)23/h9-10H,1-8H2,(H2,18,20)(H,19,21)(H,22,23)
InChIKey OFSGNJCEUBTMGV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19256
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/9138458; UBI_ID: UBI-019259
Temperature 318 °C