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1-[3'-( 1"-Hydroxy-3"-butynyl)phenyl]-2,3-butadien-1-one
SpectraBase Compound ID JpR4ZdqzP5U
InChI InChI=1S/C14H12O2/c1-3-6-13(15)11-8-5-9-12(10-11)14(16)7-4-2/h1,5,7-10,13,15H,2,6H2
InChIKey GGTSBSJITDAESG-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C14H12O2
Exact Mass 212.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2FeK1zc0I3
Name 1-[3'-( 1"-Hydroxy-3"-butynyl)phenyl]-2,3-butadien-1-one
Alternate Name(s) 1-[3-(1-hydroxy-3-butynyl)phenyl]-2,3-butadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O2
InChI InChI=1S/C14H12O2/c1-3-6-13(15)11-8-5-9-12(10-11)14(16)7-4-2/h1,5,7-10,13,15H,2,6H2
InChIKey GGTSBSJITDAESG-UHFFFAOYSA-N
Molecular Weight 212.248 g/mol
SMILES OC(c1cc(C(C=C=C)=O)ccc1)CC#C
SPLASH splash10-00di-0900000000-e2c6e995c91c2e4d3cb5
Source of Spectrum K-130-1453-1
Wiley ID 1211975