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3-Butylthio-1-phenyl-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

3-Butylthio-1-phenyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 3mH0BPBdyXL
InChI InChI=1S/C13H18N2S/c1-2-3-11-16-13-9-10-15(14-13)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey KJVKSLVJEUPGMZ-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C13H18N2S
Exact Mass 234.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBS4bVM2LWN
Name 3-Butylthio-1-phenyl-4,5-dihydro-1H-pyrazole
Alternate Name(s) 5-(butylthio)-2-phenyl-3,4-dihydropyrazole 5-Butylsulfanyl-2-phenyl-3,4-dihydropyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2S
InChI InChI=1S/C13H18N2S/c1-2-3-11-16-13-9-10-15(14-13)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey KJVKSLVJEUPGMZ-UHFFFAOYSA-N
Molecular Weight 234.361 g/mol
SMILES c1ccc(cc1)N1N=C(CC1)SCCCC
SPLASH splash10-0059-8940000000-b40544213b799512fb40
Source of Spectrum IY-1-4222-4
Wiley ID 1650240