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Propylbenzene

View entire compound with spectra: 50 NMR, 7 FTIR, 1 Raman, 31 MS (GC), and 2 Near IR

Propylbenzene
SpectraBase Compound ID bwKi1Bhro0
InChI InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey ODLMAHJVESYWTB-UHFFFAOYSA-N
Mol Weight 120.19 g/mol
Molecular Formula C9H12
Exact Mass 120.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMSlMRMpdDj
Name Benzene, propyl-
CAS Registry Number 103-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12
InChI InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey ODLMAHJVESYWTB-UHFFFAOYSA-N
Molecular Weight 120.195 g/mol
SMILES CCCc1ccccc1
SPLASH splash10-0006-9000000000-812db869a216d551aa5f
Source of Spectrum Va-0-0-0
Synonyms 1-Phenylpropane 1-Propylbenzene Phenylpropane Propylbenzene Propylbenzene (all isomers) Propylbenzene, N- AI3-23862 EINECS 203-132-9 HSDB 5353 NSC 16941 UN2364
Wiley ID 741064