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1-Phenyl-2-butynyl acetate
SpectraBase Compound ID 3ltCDFrDRyy
InChI InChI=1S/C12H12O2/c1-3-7-12(14-10(2)13)11-8-5-4-6-9-11/h4-6,8-9,12H,1-2H3
InChIKey IPQYYVIBXBUMPR-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 GxC0iF5mMm3
Name 1-Phenyl-2-butynyl acetate
CAS Registry Number 58879-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-3-7-12(14-10(2)13)11-8-5-4-6-9-11/h4-6,8-9,12H,1-2H3
InChIKey IPQYYVIBXBUMPR-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES CC#CC(c1ccccc1)OC(C)=O
SPLASH splash10-004i-2900000000-4675bb3dcd636293000e
Source of Spectrum J-51-4012-1
Synonyms 1-Acetoxy-1-phenylbut-2-yne 1-Phenylbut-2-ynyl acetate 1-Phenylbut-2-ynyl ethanoate Acetic acid 1-phenylbut-2-ynyl ester
Wiley ID 1184920