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2-Chloroethyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonate

View entire compound with spectra: 2 MS (GC)

2-Chloroethyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonate
SpectraBase Compound ID HekquE9Tw1O
InChI InChI=1S/C13H15ClN2O3S/c1-10-13(20(17,18)19-9-8-14)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKey UFZDBWFKXQYXQS-UHFFFAOYSA-N
Mol Weight 314.79 g/mol
Molecular Formula C13H15ClN2O3S
Exact Mass 314.049191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbnxJSnLwpO
Name 3,5-dimethyl-N-phenylpyrazole-4-sulfonic acid chloroethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClN2O3S
InChI InChI=1S/C13H15ClN2O3S/c1-10-13(20(17,18)19-9-8-14)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKey UFZDBWFKXQYXQS-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 314.787 g/mol
Reported Formula C13H16ClN2O3S
SMILES c1(n[n](c(c1S(OCCCl)(=O)=O)C)-c1ccccc1)C
SPLASH splash10-0002-0900000000-523d8f5a4b06388c85dd
Source of Spectrum CN104744337A
Wiley ID 1850399