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

*Links on SpectraBase are not permalinks.
5-ETHOXYCARBONYL-5-ETYHL-2-PHENYL-[1,2,4]-TRIAZOLIDINE-3-THIONE
SpectraBase Compound ID FeJHGsRV2BQ
InChI InChI=1S/C13H17N3O2S/c1-3-13(11(17)18-4-2)14-12(19)16(15-13)10-8-6-5-7-9-10/h5-9,15H,3-4H2,1-2H3,(H,14,19)
InChIKey GSGYQJQPTWNHCC-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C13H17N3O2S
Exact Mass 279.104148 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 5NF2HNmgEZF
Name 5-Ethoxycarbonyl-5-ethyl-2-phenyl[1,2,4]triazolidine-3-thione
Alternate Name(s) Ethyl 3-ethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O2S
InChI InChI=1S/C13H17N3O2S/c1-3-13(11(17)18-4-2)14-12(19)16(15-13)10-8-6-5-7-9-10/h5-9,15H,3-4H2,1-2H3,(H,14,19)
InChIKey GSGYQJQPTWNHCC-UHFFFAOYSA-N
Molecular Weight 279.358 g/mol
SMILES N1C(N(NC1(C(=O)OCC)CC)c1ccccc1)=S
SPLASH splash10-0a4l-5190000000-47a88ab1ef6ecd18d40c
Source of Spectrum H1-50-255-3
Wiley ID 816806