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1-Phenyl-1-methoxy-2-acetyl-1-penten-4-one
SpectraBase Compound ID BYXw5mtfSmP
InChI InChI=1S/C14H16O3/c1-10(15)9-13(11(2)16)14(17-3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3/b14-13+
InChIKey ZXXVYEFQJOVWQO-BUHFOSPRSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ilOgf98mVD
Name 1-Phenyl-1-methoxy-2-acetyl-1-penten-4-one
Alternate Name(s) (3E)-3-[methoxy(phenyl)methylene]-2,5-hexanedione
CAS Registry Number 117203-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-10(15)9-13(11(2)16)14(17-3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3/b14-13+
InChIKey ZXXVYEFQJOVWQO-BUHFOSPRSA-N
Molecular Weight 232.279 g/mol
SMILES c1(\C(=C/(C(=O)C)CC(=O)C)OC)ccccc1
SPLASH splash10-014r-0900000000-7dda1250734435d78b9e
Source of Spectrum J-54-144-17
Wiley ID 1233968