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1-Hexen-3-one, 4-hydroxy-5,5-dimethyl-1-phenyl-, (E)-(.+-.)-
SpectraBase Compound ID K7Rr6l7EAMT
InChI InChI=1S/C14H18O2/c1-14(2,3)13(16)12(15)10-9-11-7-5-4-6-8-11/h4-10,13,16H,1-3H3/b10-9+
InChIKey PSXMYAYKCLSFHZ-MDZDMXLPSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKcIkjp6vph
Name 1-Hexen-3-one, 4-hydroxy-5,5-dimethyl-1-phenyl-, (E)-(.+-.)-
CAS Registry Number 114738-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-14(2,3)13(16)12(15)10-9-11-7-5-4-6-8-11/h4-10,13,16H,1-3H3/b10-9+
InChIKey PSXMYAYKCLSFHZ-MDZDMXLPSA-N
Molecular Weight 218.296 g/mol
SMILES OC(C(\C=C\c1ccccc1)=O)C(C)(C)C
SPLASH splash10-001i-0900000000-9c46c1adb782ac578ced
Source of Spectrum C-110-4657-9
Synonyms (1E)-4-hydroxy-5,5-dimethyl-1-phenyl-1-hexen-3-one 5,5-Dimethyl-4-hydroxy-1-phenyl-1-hexen-3-one
Wiley ID 1217970