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Benzene, (1-methylheptyl)-
SpectraBase Compound ID 2cWoDBTTZsw
InChI InChI=1S/C14H22/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
InChIKey GTYIGAUPHJCMLF-UHFFFAOYSA-N
Mol Weight 190.33 g/mol
Molecular Formula C14H22
Exact Mass 190.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcO4984PhOQ
Name Benzene, (1-methylheptyl)-
Alternate Name(s) (1-Methylheptyl)benzene 2-Phenyloctane Octan-2-ylbenzene Octane, 2-phenyl-
CAS Registry Number 777-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22
InChI InChI=1S/C14H22/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
InChIKey GTYIGAUPHJCMLF-UHFFFAOYSA-N
Molecular Weight 190.330 g/mol
SMILES C(CCCCCC)(C)c1ccccc1
SPLASH splash10-0a4i-3900000000-0629b94de03109768fdb
Source of Spectrum A-0-0-135
Wiley ID 1187146