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5-Methoxy-1,3-dimethyl-4-(phenylthiomethyl)-1H-pyrazole
SpectraBase Compound ID Et0BS9pdqhl
InChI InChI=1S/C13H16N2OS/c1-10-12(13(16-3)15(2)14-10)9-17-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey WXWVHTYPOJNLQR-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Q3YGzELEn3
Name 5-Methoxy-1,3-dimethyl-4-(phenylthiomethyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-10-12(13(16-3)15(2)14-10)9-17-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKey WXWVHTYPOJNLQR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900729
Molecular Weight 248.344 g/mol
SMILES c1(n[n](c(OC)c1CSc1ccccc1)C)C
SPLASH splash10-000i-0900000000-5b2e31f3122a20b6284e
Source of Spectrum ASC-352-309/SM2-4b
Synonyms 5-Methoxy-1,3-dimethyl-4-((phenylthio)methyl)-1H-pyrazole
Wiley ID 1764238