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Phenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonate

View entire compound with spectra: 2 MS (GC)

Phenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonate
SpectraBase Compound ID GXYtOTX1lPz
InChI InChI=1S/C17H16N2O3S/c1-13-17(23(20,21)22-16-11-7-4-8-12-16)14(2)19(18-13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey HJSVPNMXDPYAAV-UHFFFAOYSA-N
Mol Weight 328.39 g/mol
Molecular Formula C17H16N2O3S
Exact Mass 328.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a4Q6zkCVh5
Name 3,5-dimethyl-N-phenylpyrazole-4-sulfonic acid phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O3S
InChI InChI=1S/C17H16N2O3S/c1-13-17(23(20,21)22-16-11-7-4-8-12-16)14(2)19(18-13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey HJSVPNMXDPYAAV-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 328.386 g/mol
Reported Formula C17H17N2O3S
SMILES c1([n](nc(c1S(Oc1ccccc1)(=O)=O)C)-c1ccccc1)C
SPLASH splash10-000i-2391000000-cb97c26b98b826e3f586
Source of Spectrum CN104803817A
Wiley ID 1850411