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3-phenylpropionic acid prop-1-ynyl ester
SpectraBase Compound ID CVAlkD4DOUN
InChI InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1H3
InChIKey XZMSZVUQMNFQHM-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaIZvnAz5gr
Name 3-Phenylpropanoic acid prop-1-ynyl ester
CAS Registry Number 113779-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1H3
InChIKey XZMSZVUQMNFQHM-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C(#CC)OC(=O)CCc1ccccc1
SPLASH splash10-052f-9800000000-8a5ba2d15a90870d5723
Source of Spectrum C-110-3275-6
Synonyms 3-Phenylpropionic acid prop-1-ynyl ester Prop-1-ynyl 3-phenylpropanoate
Wiley ID 1184910