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1-propylbut-1-enylbenzene
SpectraBase Compound ID BQqZk4UrmKO
InChI InChI=1S/C13H18/c1-3-8-12(9-4-2)13-10-6-5-7-11-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey SIMQROZTZFMKOC-UHFFFAOYSA-N
Mol Weight 174.29 g/mol
Molecular Formula C13H18
Exact Mass 174.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CtAfBKxj5b
Name 1-propylbut-1-enylbenzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18
InChI InChI=1S/C13H18/c1-3-8-12(9-4-2)13-10-6-5-7-11-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey SIMQROZTZFMKOC-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 174.287 g/mol
SMILES c1cccc(c1)C(=CCC)CCC
SPLASH splash10-001i-0900000000-0e7e8c722ee143898f31
Source of Spectrum A1-23-SM5-1p
Wiley ID 1867966