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1,3,5-Trimethyl-4-(phenylthio)-1H-pyrazole
SpectraBase Compound ID 3rupGIqzF35
InChI InChI=1S/C12H14N2S/c1-9-12(10(2)14(3)13-9)15-11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey AKISQSNLMQFROH-UHFFFAOYSA-N
Mol Weight 218.32 g/mol
Molecular Formula C12H14N2S
Exact Mass 218.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tVxVNAfjVN
Name 1,3,5-Trimethyl-4-(phenylthio)-1H-pyrazole
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2S
InChI InChI=1S/C12H14N2S/c1-9-12(10(2)14(3)13-9)15-11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey AKISQSNLMQFROH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201806261
Molecular Weight 218.318 g/mol
Reported Formula C12H14N2S
SMILES c1(ccccc1)Sc1c(n[n](c1C)C)C
SPLASH splash10-014i-0790000000-d70bd4b1a381ae721f0c
Source of Spectrum QE-25-SM29-1l
Wiley ID 1848446