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3-Allyl-1-methyl-5-(phenylthio)-1H-pyrazole
SpectraBase Compound ID 4nIs68IQLS8
InChI InChI=1S/C13H14N2S/c1-3-7-11-10-13(15(2)14-11)16-12-8-5-4-6-9-12/h3-6,8-10H,1,7H2,2H3
InChIKey BRVZPEISVNPSST-UHFFFAOYSA-N
Mol Weight 230.33 g/mol
Molecular Formula C13H14N2S
Exact Mass 230.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7S2ULf8VBb
Name 3-Allyl-1-methyl-5-(phenylthio)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2S
InChI InChI=1S/C13H14N2S/c1-3-7-11-10-13(15(2)14-11)16-12-8-5-4-6-9-12/h3-6,8-10H,1,7H2,2H3
InChIKey BRVZPEISVNPSST-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol901208d
Molecular Weight 230.329 g/mol
SMILES c1([n](nc(c1)CC=C)C)Sc1ccccc1
SPLASH splash10-001i-0190000000-83fc472e3c25f0f64870
Source of Spectrum A1-11-3326/SM14-9c
Wiley ID 1757049