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2,4-Dimethylphenyl phenylpropynoate
SpectraBase Compound ID 4Qkqqqtce8a
InChI InChI=1S/C17H14O2/c1-13-8-10-16(14(2)12-13)19-17(18)11-9-15-6-4-3-5-7-15/h3-8,10,12H,1-2H3
InChIKey KIMXSUWGEQFARB-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C17H14O2
Exact Mass 250.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vu3fgCcsne
Name 2,4-Dimethylphenyl phenylpropynoate
CAS Registry Number 104213-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-13-8-10-16(14(2)12-13)19-17(18)11-9-15-6-4-3-5-7-15/h3-8,10,12H,1-2H3
InChIKey KIMXSUWGEQFARB-UHFFFAOYSA-N
Molecular Weight 250.297 g/mol
SMILES C(#Cc1ccccc1)C(Oc1c(cc(cc1)C)C)=O
SPLASH splash10-004i-0900000000-bd4c46df159ea10a77ec
Source of Spectrum J-51-4436-3
Synonyms 2,4-Dimethylphenyl 3-phenyl-2-propynoate 3-Phenyl-2-propynoic acid (2,4-dimethylphenyl) ester (2,4-dimethylphenyl) 3-phenylprop-2-ynoate
Wiley ID 1254007