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

*Links on SpectraBase are not permalinks.
1,2,4-thiadiazol-5(4H)-one, 4-butyl-3-methyl-
SpectraBase Compound ID LDIb7Mb63B6
InChI InChI=1S/C7H12N2OS/c1-3-4-5-9-6(2)8-11-7(9)10/h3-5H2,1-2H3
InChIKey NXIUXMDBBKULHZ-UHFFFAOYSA-N
Mol Weight 172.25 g/mol
Molecular Formula C7H12N2OS
Exact Mass 172.067034 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 ETWtcLVUiv3
Name 1,2,4-thiadiazol-5(4H)-one, 4-butyl-3-methyl-
Alternate Name(s) 4-Butyl-3-methyl-1,2,4-thiadiazol-5(4H)-one
CAS Registry Number 64671-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12N2OS
InChI InChI=1S/C7H12N2OS/c1-3-4-5-9-6(2)8-11-7(9)10/h3-5H2,1-2H3
InChIKey NXIUXMDBBKULHZ-UHFFFAOYSA-N
Molecular Weight 172.246 g/mol
SMILES C1(N(C(=NS1)C)CCCC)=O
SPLASH splash10-00dj-9200000000-20850ef7f1d087f53f16
Source of Spectrum J-52-2787-5
Wiley ID 1168325