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1-neopentyl-2,4,5-trimethylbenzene
SpectraBase Compound ID DP1h8l4E3Nc
InChI InChI=1S/C14H22/c1-10-7-12(3)13(8-11(10)2)9-14(4,5)6/h7-8H,9H2,1-6H3
InChIKey OQQKZMVCVVOBPG-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 F1lM0ZJNK9x
Name Benzene, 1-(2,2-dimethylpropyl)-2,4,5-trimethyl-
Alternate Name(s) 1,2,4-Trimethyl-5-neopentylbenzene 1-(2,2-dimethylpropyl)-2,4,5-trimethyl-benzene 1-(2,2-dimethylpropyl)-2,4,5-trimethylbenzene
CAS Registry Number 56666-87-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22
InChI InChI=1S/C14H22/c1-10-7-12(3)13(8-11(10)2)9-14(4,5)6/h7-8H,9H2,1-6H3
InChIKey OQQKZMVCVVOBPG-UHFFFAOYSA-N
Molecular Weight 190.330 g/mol
SMILES Cc1cc(C)c(cc1C)CC(C)(C)C
SPLASH splash10-001i-2900000000-785be1ba870382582406
Source of Spectrum EP-5904-0-0
Wiley ID 1187159