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5-(2',4'-Dimethylphenyl)-pent-2-yne
SpectraBase Compound ID ABtRq6RlErv
InChI InChI=1S/C13H16/c1-4-5-6-7-13-9-8-11(2)10-12(13)3/h8-10H,6-7H2,1-3H3
InChIKey PTAGJYNQJNUAGJ-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 KDL2wCyhK6R
Name 5-(2',4'-Dimethylphenyl)-pent-2-yne
Alternate Name(s) 2,4-Dimethyl-1-(pent-3-yn-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-4-5-6-7-13-9-8-11(2)10-12(13)3/h8-10H,6-7H2,1-3H3
InChIKey PTAGJYNQJNUAGJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19730560214
Molecular Weight 172.271 g/mol
SMILES c1cc(cc(c1CCC#CC)C)C
SPLASH splash10-014i-4900000000-e7506e41dd0a15185147
Source of Spectrum H-56-701-15
Wiley ID 1801386