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

*Links on SpectraBase are not permalinks.
1-(1,1-Dioxo-tetrahydrothien-3-yl)-3-methyl-5-hydroxy-4-(2-chloro-4-nitrophenylazo)pyrazole
SpectraBase Compound ID DR3CYijcAYV
InChI InChI=1S/C14H14ClN5O5S/c1-8-13(14(21)19(18-8)10-4-5-26(24,25)7-10)17-16-12-3-2-9(20(22)23)6-11(12)15/h2-3,6,10,21H,4-5,7H2,1H3/b17-16+
InChIKey FIUBDJUNUHLJEB-WUKNDPDISA-N
Mol Weight 399.81 g/mol
Molecular Formula C14H14ClN5O5S
Exact Mass 399.040417 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 B2iUwUhSAHg
Name 1-(1,1-Dioxo-tetrahydrothien-3-yl)-3-methyl-5-hydroxy-4-(2-chloro-4-nitrophenylazo)pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClN5O5S
InChI InChI=1S/C14H14ClN5O5S/c1-8-13(14(21)19(18-8)10-4-5-26(24,25)7-10)17-16-12-3-2-9(20(22)23)6-11(12)15/h2-3,6,10,21H,4-5,7H2,1H3/b17-16+
InChIKey FIUBDJUNUHLJEB-WUKNDPDISA-N
Molecular Weight 399.809 g/mol
SMILES Oc1[n](nc(C)c1\N=N\c1c(cc(N(=O)=O)cc1)Cl)C1CS(=O)(=O)CC1
SPLASH splash10-0aou-9113000000-718a26789b0ba9d9b4ad
Source of Spectrum IC-1105-0-0
Synonyms 4-[(E)-(2-chloro-4-nitrophenyl)diazenyl]-1-(1,1-dioxidotetrahydro-3-thienyl)-3-methyl-1H-pyrazol-5-ol
Wiley ID 1368869