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4-{[3-(isopropoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl]amino}-4-oxobutanoic acid
SpectraBase Compound ID 97VXnuYfyJp
InChI InChI=1S/C22H33NO5S/c1-15(2)28-22(27)20-16-11-9-7-5-3-4-6-8-10-12-17(16)29-21(20)23-18(24)13-14-19(25)26/h15H,3-14H2,1-2H3,(H,23,24)(H,25,26)
InChIKey HGTNIVXEYNLVSS-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C22H33NO5S
Exact Mass 423.207944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FcQkH9cHJNq
Name 4-{[3-(isopropoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl]amino}-4-oxobutanoic 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/C22H33NO5S/c1-15(2)28-22(27)20-16-11-9-7-5-3-4-6-8-10-12-17(16)29-21(20)23-18(24)13-14-19(25)26/h15H,3-14H2,1-2H3,(H,23,24)(H,25,26)
InChIKey HGTNIVXEYNLVSS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10558
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/9072605; UBI_ID: UBI-010561
Temperature 313 °C