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3-Butylthiophene
SpectraBase Compound ID DvQqhcu13iO
InChI InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3
InChIKey KPOCSQCZXMATFR-UHFFFAOYSA-N
Mol Weight 140.24 g/mol
Molecular Formula C8H12S
Exact Mass 140.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wXBSFioBwH
Name Thiophene <3-Butyl->
CAS Registry Number 34722-01-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 140.065971560 u
Formula C8H12S
InChI InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3
InChIKey KPOCSQCZXMATFR-UHFFFAOYSA-N
Molecular Weight 140.244 g/mol
Number of Peaks 50
RI1 1071
RI2 747
SMILES c1sccc1CCCC
SPLASH splash10-0002-9100000000-002bbb9ab41954b2bb6a
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Thiophene, 3-butyl-
Wiley ID LM_FFNSC3_2024