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1-[3-acetyl-1-(3-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
SpectraBase Compound ID BiayoAXwVXJ
InChI InChI=1S/C21H18ClN3O2S2/c1-13-19(14(2)26)28-21(24(13)17-9-5-4-6-10-17)25(23-20(29-21)15(3)27)18-11-7-8-16(22)12-18/h4-12H,1-3H3
InChIKey VBQVKXRTWMFEIQ-UHFFFAOYSA-N
Mol Weight 443.97 g/mol
Molecular Formula C21H18ClN3O2S2
Exact Mass 443.052897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K1lESv6w2qE
Name 1-[3-acetyl-1-(3-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
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/C21H18ClN3O2S2/c1-13-19(14(2)26)28-21(24(13)17-9-5-4-6-10-17)25(23-20(29-21)15(3)27)18-11-7-8-16(22)12-18/h4-12H,1-3H3
InChIKey VBQVKXRTWMFEIQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2742
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: D04515; Labnumber: SPGAL3-0842; SBI_ID: SBI-002744
Temperature 318 °C