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1-Hexen-3-one, 2-(hydroxyphenylmethyl)-
SpectraBase Compound ID 88kFimhN4mo
InChI InChI=1S/C13H16O2/c1-3-7-12(14)10(2)13(15)11-8-5-4-6-9-11/h4-6,8-9,13,15H,2-3,7H2,1H3
InChIKey ONLIMMFUBSESCJ-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HvLSYZH9Ml
Name 1-Hexen-3-one, 2-(hydroxyphenylmethyl)-
Alternate Name(s) 2-[hydroxy(phenyl)methyl]-1-hexen-3-one
CAS Registry Number 112247-24-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-3-7-12(14)10(2)13(15)11-8-5-4-6-9-11/h4-6,8-9,13,15H,2-3,7H2,1H3
InChIKey ONLIMMFUBSESCJ-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES OC(C(C(=O)CCC)=C)c1ccccc1
SPLASH splash10-0udi-0390000000-8a30a204f9f99bb41831
Source of Spectrum J-53-1040-8
Wiley ID 1202074