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4-(2',6'-Dimethylphenyl)-but-1-yne
SpectraBase Compound ID 3gQkd0ol0bT
InChI InChI=1S/C12H14/c1-4-5-9-12-10(2)7-6-8-11(12)3/h1,6-8H,5,9H2,2-3H3
InChIKey LTAGOPOLSBGFQK-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 EdUi8pnq9vl
Name 4-(2',6'-Dimethylphenyl)-but-1-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-4-5-9-12-10(2)7-6-8-11(12)3/h1,6-8H,5,9H2,2-3H3
InChIKey LTAGOPOLSBGFQK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19730560214
Molecular Weight 158.244 g/mol
SMILES c1(cccc(c1CCC#C)C)C
SPLASH splash10-014i-1900000000-e75ce9dd81fc10c5ae33
Source of Spectrum H-56-700-9
Synonyms 2-(but-3-yn-1-yl)-1,3-dimethylbenzene
Wiley ID 1801396