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

*Links on SpectraBase are not permalinks.
1-[5'-Hydroxy-3-'-methyl-1'-(4"-methyl-2"-thiazolyl)-4'-pyrazolyl]-1,3-butanedione
SpectraBase Compound ID LeEf6mzsHiD
InChI InChI=1S/C12H13N3O3S/c1-6-5-19-12(13-6)15-11(18)10(8(3)14-15)9(17)4-7(2)16/h5,18H,4H2,1-3H3
InChIKey ZATMUQMSYMQYKB-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C12H13N3O3S
Exact Mass 279.067762 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 CklDTUEHBcG
Name 1-[5'-Hydroxy-3-'-methyl-1'-(4"-methyl-2"-thiazolyl)-4'-pyrazolyl]-1,3-butanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O3S
InChI InChI=1S/C12H13N3O3S/c1-6-5-19-12(13-6)15-11(18)10(8(3)14-15)9(17)4-7(2)16/h5,18H,4H2,1-3H3
InChIKey ZATMUQMSYMQYKB-UHFFFAOYSA-N
Molecular Weight 279.314 g/mol
SMILES Oc1[n](-c2nc(C)cs2)nc(C)c1C(CC(=O)C)=O
SPLASH splash10-00di-0290000000-5070f4c5f2d6ad661e26
Source of Spectrum SK-23-1860-3
Synonyms 1-[5'-Hydroxy-3-'-methyl-1'-(4''-methyl-2''-thiazolyl)-4'-pyrazolyl]-1,3-butanedione 1-[5-hydroxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3-butanedione
Wiley ID 865637