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2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N-phenylacetamide
SpectraBase Compound ID 6kWLrAtNPO5
InChI InChI=1S/C28H27N5OS2/c29-16-21-26(36-18-23(34)31-20-12-6-2-7-13-20)33-25(30)24(28(21)14-8-3-9-15-28)27-32-22(17-35-27)19-10-4-1-5-11-19/h1-2,4-7,10-13,17,33H,3,8-9,14-15,18,30H2,(H,31,34)
InChIKey HJDKELSYCPEFME-UHFFFAOYSA-N
Mol Weight 513.68 g/mol
Molecular Formula C28H27N5OS2
Exact Mass 513.165703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9symz7wxpII
Name 2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N-phenylacetamide
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/C28H27N5OS2/c29-16-21-26(36-18-23(34)31-20-12-6-2-7-13-20)33-25(30)24(28(21)14-8-3-9-15-28)27-32-22(17-35-27)19-10-4-1-5-11-19/h1-2,4-7,10-13,17,33H,3,8-9,14-15,18,30H2,(H,31,34)
InChIKey HJDKELSYCPEFME-UHFFFAOYSA-N
NMR Offset 16.0106
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2654
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: NMR/9301844; Labnumber: DVD-0000171