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1-Isopentyl-2,3,4-trimethylbenzene
SpectraBase Compound ID 77A2wBlb9mS
InChI InChI=1S/C14H22/c1-10(2)6-8-14-9-7-11(3)12(4)13(14)5/h7,9-10H,6,8H2,1-5H3
InChIKey OXSWQPRWBPNIAX-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 Ge0WJA1JcUq
Name 1-Isopentyl-2,3,4-trimethylbenzene
Alternate Name(s) 1,2,3-trimethyl-4-(3-methylbutyl)benzene 1-(3-Methylbutyl)-2,3,4-trimethylbenzene 1-isoamyl-2,3,4-trimethyl-benzene
CAS Registry Number 107997-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22
InChI InChI=1S/C14H22/c1-10(2)6-8-14-9-7-11(3)12(4)13(14)5/h7,9-10H,6,8H2,1-5H3
InChIKey OXSWQPRWBPNIAX-UHFFFAOYSA-N
Molecular Weight 190.330 g/mol
SMILES Cc1ccc(CCC(C)C)c(C)c1C
SPLASH splash10-001i-0900000000-ee5f9ad68543e248885b
Source of Spectrum O-23-43-0
Wiley ID 1187213