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1,3-dimethyl-5-(4-phenylbutyl)benzene

View entire compound with spectra: 1 MS (GC)

1,3-dimethyl-5-(4-phenylbutyl)benzene
SpectraBase Compound ID AwqzU3ZirSL
InChI InChI=1S/C18H22/c1-15-12-16(2)14-18(13-15)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKey UBPBGYXIWTXYEB-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C18H22
Exact Mass 238.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4RZIxALZXV
Name 1,3-dimethyl-5-(4-phenylbutyl)benzene
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.172150708 u
Formula C18H22
InChI InChI=1S/C18H22/c1-15-12-16(2)14-18(13-15)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKey UBPBGYXIWTXYEB-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 238.374 g/mol
Quality 137
Reported Formula C18H22
SMILES CC=1C=C(C=C(C1)CCCCC1=CC=CC=C1)C
SPLASH splash10-0600-1910000000-e7391bf5c2f00a86a783
Source of Spectrum ACI-61-SM81-13b (DOI: 10.1002/anie.202203807)
Wiley ID 1897821