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6-[({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}amino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid

View entire compound with spectra: 1 NMR

6-[({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}amino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID Ic276xGjCKI
InChI InChI=1S/C22H29NO6S/c1-12-10-15(16(21(25)26)11-13(12)2)19(24)23-20-18(22(27)29-9-8-28-3)14-6-4-5-7-17(14)30-20/h15-16H,4-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKey FNAMSUBVPTVJRK-UHFFFAOYSA-N
Mol Weight 435.54 g/mol
Molecular Formula C22H29NO6S
Exact Mass 435.171559 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BtoJaSvBbxc
Name 6-[({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}amino)carbonyl]-3,4-dimethyl-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/C22H29NO6S/c1-12-10-15(16(21(25)26)11-13(12)2)19(24)23-20-18(22(27)29-9-8-28-3)14-6-4-5-7-17(14)30-20/h15-16H,4-11H2,1-3H3,(H,23,24)(H,25,26)
InChIKey FNAMSUBVPTVJRK-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15533
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/9685908; Labnumber: NSB-0098903; UZI_ID: UZI-015537
Temperature 308 °C