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1,3,5-Trimethyl-2-(prop-1-ynyl)benzene
SpectraBase Compound ID 4P6N7f4WV1M
InChI InChI=1S/C12H14/c1-5-6-12-10(3)7-9(2)8-11(12)4/h7-8H,1-4H3
InChIKey WHWIPGBVNAXTRA-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hx0HPUfg5zc
Name 1,3,5-Trimethyl-2-(prop-1-ynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-5-6-12-10(3)7-9(2)8-11(12)4/h7-8H,1-4H3
InChIKey WHWIPGBVNAXTRA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo401851m
Molecular Weight 158.244 g/mol
SMILES c1c(cc(c(C#CC)c1C)C)C
SPLASH splash10-0a6u-0900000000-38df6e17f607ee321fec
Source of Spectrum J-78-10424-3na
Synonyms 1,3,5-trimethyl-2-(prop-1-yn-1-yl)benzene 1,3,5-trimethyl-2-prop-1-ynylbenzene
Wiley ID 1747274