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

*Links on SpectraBase are not permalinks.
5-benzoyl-3-phenyl-2[[(Z)-1,2-bis(methoxycarbonyl)vinyl]imino]-2,3-dihydro-1,3,4-thiadiazole
SpectraBase Compound ID E3FuPKz9LVP
InChI InChI=1S/C21H17N3O5S/c1-28-17(25)13-16(20(27)29-2)22-21-24(15-11-7-4-8-12-15)23-19(30-21)18(26)14-9-5-3-6-10-14/h3-13H,1-2H3/b16-13-,22-21-
InChIKey WQNMADWSDSQJHG-OCJCIRDASA-N
Mol Weight 423.44 g/mol
Molecular Formula C21H17N3O5S
Exact Mass 423.088892 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 2sKukM03N9I
Name 5-benzoyl-3-phenyl-2[[(Z)-1,2-bis(methoxycarbonyl)vinyl]imino]-2,3-dihydro-1,3,4-thiadiazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O5S
InChI InChI=1S/C21H17N3O5S/c1-28-17(25)13-16(20(27)29-2)22-21-24(15-11-7-4-8-12-15)23-19(30-21)18(26)14-9-5-3-6-10-14/h3-13H,1-2H3/b16-13-,22-21-
InChIKey WQNMADWSDSQJHG-OCJCIRDASA-N
Molecular Weight 423.443 g/mol
SMILES C=1(S\C(N(N1)c1ccccc1)=N/C(=C\C(=O)OC)C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900200000-aea397f5e81c1a92148f
Source of Spectrum AJ-62-216-10
Synonyms dimethyl (2Z)-2-[((2Z)-5-benzoyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)amino]-2-butenedioate
Wiley ID 1378917