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1-[3-(Octan-2-yl)thiophen-2-yl]-1H-pyrazole
SpectraBase Compound ID BXwMwQTnXrG
InChI InChI=1S/C15H22N2S/c1-3-4-5-6-8-13(2)14-9-12-18-15(14)17-11-7-10-16-17/h7,9-13H,3-6,8H2,1-2H3
InChIKey OUCJNFPAGDMENY-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C15H22N2S
Exact Mass 262.15037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID u2fpFdke0
Name 1-[3-(Octan-2-yl)thiophen-2-yl]-1H-pyrazole
Appearance Yellowish oil
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Exact Mass 262.150369890 u
Formula C15H22N2S
InChI InChI=1S/C15H22N2S/c1-3-4-5-6-8-13(2)14-9-12-18-15(14)17-11-7-10-16-17/h7,9-13H,3-6,8H2,1-2H3
InChIKey OUCJNFPAGDMENY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704196
Molecular Weight 262.415 g/mol
Quality 41
Reported Formula C15H22N2S
SMILES CC(CCCCCC)C1=C(SC=C1)N1N=CC=C1
SPLASH splash10-03fu-0910000000-b4b818c53c20f1c2b7e4
Source of Spectrum ACI-56-SM30-6aa (DOI: 10.1002/anie.201704196)
Wiley ID 1896282