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1,3-Dimethyl-2-(prop-1-yn-1-yl)benzene
SpectraBase Compound ID FER4tBdeJA4
InChI InChI=1S/C11H12/c1-4-6-11-9(2)7-5-8-10(11)3/h5-8H,1H2,2-3H3
InChIKey IRTPUHOLMIPWEQ-UHFFFAOYSA-N
Mol Weight 144.22 g/mol
Molecular Formula C11H12
Exact Mass 144.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lch1pWllR2
Name 1,3-Dimethyl-2-(prop-1-yn-1-yl)benzene
Alternate Name(s) 1,3-Dimethyl-2-(propa-1,2-dien-1-yl)benzene 1,3-Dimethyl-2-propa-1,2-dienylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12
InChI InChI=1S/C11H12/c1-4-6-11-9(2)7-5-8-10(11)3/h5-8H,1H2,2-3H3
InChIKey IRTPUHOLMIPWEQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo502316q
Molecular Weight 144.217 g/mol
SMILES c1(C=C=C)c(cccc1C)C
SPLASH splash10-004l-0900000000-fba2ac4a96b353989981
Source of Spectrum J-80-651-6f
Wiley ID 1755838