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isopropyl 2-{[2-(2-chloro-5-methylphenoxy)propanoyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

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isopropyl 2-{[2-(2-chloro-5-methylphenoxy)propanoyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID 5qCc4OSWXj0
InChI InChI=1S/C28H38ClNO4S/c1-18(2)33-28(32)25-21-13-11-9-7-5-6-8-10-12-14-24(21)35-27(25)30-26(31)20(4)34-23-17-19(3)15-16-22(23)29/h15-18,20H,5-14H2,1-4H3,(H,30,31)
InChIKey HZGOTKARBARZOB-UHFFFAOYSA-N
Mol Weight 520.1 g/mol
Molecular Formula C28H38ClNO4S
Exact Mass 519.221008 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsDvCzS3Z2J
Name isopropyl 2-{[2-(2-chloro-5-methylphenoxy)propanoyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
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/C28H38ClNO4S/c1-18(2)33-28(32)25-21-13-11-9-7-5-6-8-10-12-14-24(21)35-27(25)30-26(31)20(4)34-23-17-19(3)15-16-22(23)29/h15-18,20H,5-14H2,1-4H3,(H,30,31)
InChIKey HZGOTKARBARZOB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7660
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/1269735; Labnumber: COL5641; UZI_ID: UZI-007662
Temperature 318 °C