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1-[3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
SpectraBase Compound ID 1IWUYa8dSMf
InChI InChI=1S/C21H18BrN3O2S2/c1-13-19(14(2)26)28-21(24(13)17-7-5-4-6-8-17)25(23-20(29-21)15(3)27)18-11-9-16(22)10-12-18/h4-12H,1-3H3
InChIKey PWRUOSZVMFQING-UHFFFAOYSA-N
Mol Weight 488.42 g/mol
Molecular Formula C21H18BrN3O2S2
Exact Mass 487.002382 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ldWkVrEGsA
Name 1-[3-acetyl-1-(4-bromophenyl)-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/C21H18BrN3O2S2/c1-13-19(14(2)26)28-21(24(13)17-7-5-4-6-8-17)25(23-20(29-21)15(3)27)18-11-9-16(22)10-12-18/h4-12H,1-3H3
InChIKey PWRUOSZVMFQING-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7735
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: D32755; Labnumber: SPGAL3-0843; SBI_ID: SBI-007738
Temperature 318 °C