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(1-Propylbutyl)benzene
SpectraBase Compound ID 8jlyGtR600j
InChI InChI=1S/C13H20/c1-3-8-12(9-4-2)13-10-6-5-7-11-13/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKey NZFVWAOONXJZIQ-UHFFFAOYSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH4qlbIS6JF
Name (1-Propylbutyl)benzene
CAS Registry Number 2132-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20
InChI InChI=1S/C13H20/c1-3-8-12(9-4-2)13-10-6-5-7-11-13/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKey NZFVWAOONXJZIQ-UHFFFAOYSA-N
Molecular Weight 176.303 g/mol
SMILES CCCC(CCC)c1ccccc1
SPLASH splash10-0006-9300000000-c38dde38ffcc62cded4f
Source of Spectrum HE-1982-0-0
Synonyms 4-Phenylheptane Benzene, (1-propylbutyl)- Heptan-4-ylbenzene Heptane, 4-phenyl-
Wiley ID 1172852