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1-[3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
SpectraBase Compound ID 3XZC6cRw4rq
InChI InChI=1S/C22H21N3O2S2/c1-14-9-8-12-19(13-14)25-22(29-21(23-25)17(4)27)24(18-10-6-5-7-11-18)15(2)20(28-22)16(3)26/h5-13H,1-4H3
InChIKey MISNKYJCYIVJBT-UHFFFAOYSA-N
Mol Weight 423.55 g/mol
Molecular Formula C22H21N3O2S2
Exact Mass 423.107519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ez3XegzicNd
Name 1-[3-acetyl-8-methyl-1-(3-methylphenyl)-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/C22H21N3O2S2/c1-14-9-8-12-19(13-14)25-22(29-21(23-25)17(4)27)24(18-10-6-5-7-11-18)15(2)20(28-22)16(3)26/h5-13H,1-4H3
InChIKey MISNKYJCYIVJBT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2741
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: D04514; Labnumber: SPGAL3-0839; SBI_ID: SBI-002743
Temperature 318 °C