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4-(2',6'-Dimethylphenyl)-pent-1-yne
SpectraBase Compound ID HZbZG2iYMuK
InChI InChI=1S/C13H16/c1-5-7-10(2)13-11(3)8-6-9-12(13)4/h1,6,8-10H,7H2,2-4H3
InChIKey HDJDXNNTJKBOPQ-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jGuSt0pkGJ
Name 4-(2',6'-Dimethylphenyl)-pent-1-yne
Alternate Name(s) 1,3-Dimethyl-2-(pent-4-yn-2-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-5-7-10(2)13-11(3)8-6-9-12(13)4/h1,6,8-10H,7H2,2-4H3
InChIKey HDJDXNNTJKBOPQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19730560214
Molecular Weight 172.271 g/mol
SMILES c1(cccc(c1C(CC#C)C)C)C
SPLASH splash10-001i-0900000000-8ae572741a078f3718da
Source of Spectrum H-56-701-18
Wiley ID 1801389