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6-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 1wABx1sA9z9
InChI InChI=1S/C20H25NO5S/c1-2-11-26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h3-4,12-13H,2,5-11H2,1H3,(H,21,22)(H,23,24)
InChIKey DLCAKYXPUCYWGE-UHFFFAOYSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eu8yOgDgYvC
Name 6-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-3-cyclohexene-1-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/C20H25NO5S/c1-2-11-26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h3-4,12-13H,2,5-11H2,1H3,(H,21,22)(H,23,24)
InChIKey DLCAKYXPUCYWGE-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7814
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/9016301; UBI_ID: UBI-007817
Temperature 308 °C