For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-Acetyl-2,5-diphenyl-6-sulfanylidene-1,2,5-triazepine-3,4-dione
SpectraBase Compound ID 3OOyeKmmtae
InChI InChI=1S/C18H13N3O3S/c1-12(22)15-18(25)20(13-8-4-2-5-9-13)16(23)17(24)21(19-15)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey SFXBQCIWETWIIG-UHFFFAOYSA-N
Mol Weight 351.38 g/mol
Molecular Formula C18H13N3O3S
Exact Mass 351.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1UqxbkPLhwr
Name 7-Acetyl-2,5-diphenyl-6-sulfanylidene-1,2,5-triazepine-3,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O3S
InChI InChI=1S/C18H13N3O3S/c1-12(22)15-18(25)20(13-8-4-2-5-9-13)16(23)17(24)21(19-15)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey SFXBQCIWETWIIG-UHFFFAOYSA-N
Molecular Weight 351.380 g/mol
SMILES C1(=NN(C(C(N(C1=S)c1ccccc1)=O)=O)c1ccccc1)C(=O)C
SPLASH splash10-002b-7092000000-b1be54b6af5c2d7b4c24
Source of Spectrum C5-2003-2562-8
Synonyms 7-Acetyl-2,5-diphenyl-6-thioxo-1,2,5-triazepine-3,4-dione 7-Acetyl-2,5-diphenyl-6-thioxo-1,2,5-triazepine-3,4-quinone 7-Ethanoyl-2,5-diphenyl-6-sulfanylidene-1,2,5-triazepine-3,4-dione
Wiley ID 1616199