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

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6-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 8zfgX7I7e7A
InChI InChI=1S/C22H29NO5S/c1-11(2)28-22(27)18-14-7-5-6-8-17(14)29-20(18)23-19(24)15-9-12(3)13(4)10-16(15)21(25)26/h11,15-16H,5-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKey BTGQOEKVRMUXOF-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C22H29NO5S
Exact Mass 419.176644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ef7GY3lhKZ
Name 6-({[3-(isopropoxycarbonyl)-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/C22H29NO5S/c1-11(2)28-22(27)18-14-7-5-6-8-17(14)29-20(18)23-19(24)15-9-12(3)13(4)10-16(15)21(25)26/h11,15-16H,5-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKey BTGQOEKVRMUXOF-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15537
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/9686428; Labnumber: NSB-0098908; UZI_ID: UZI-015541
Temperature 308 °C