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Benzenepropanoic acid, 3,3-dimethyl-1-butynyl ester
SpectraBase Compound ID JtzOcM4sOiR
InChI InChI=1S/C15H18O2/c1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKey HIORYLNKXNOEEY-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hqg4QlJd8Cl
Name Benzenepropanoic acid, 3,3-dimethyl-1-butynyl ester
CAS Registry Number 113779-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKey HIORYLNKXNOEEY-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C(#CC(C)(C)C)OC(=O)CCc1ccccc1
SPLASH splash10-0a4l-6920000000-4ee9e0da4d1064d26e37
Source of Spectrum C-110-3275-6
Synonyms 3,3-Dimethyl-1-butynyl 3-phenylpropanoate 3,3-Dimethylbutynyl 3-phenylpropinate
Wiley ID 1232185