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anti-3-(Phenylhydroxymethyl)-3-methyl-5-pentanone
SpectraBase Compound ID 3R7UfmJGiNC
InChI InChI=1S/C13H18O2/c1-3-13(2,9-10-14)12(15)11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3
InChIKey PZBZCYJOMFTXQR-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r3zFcaU5pf
Name anti-3-(Phenylhydroxymethyl)-3-methyl-5-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-13(2,9-10-14)12(15)11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3
InChIKey PZBZCYJOMFTXQR-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES OC(C(CC=O)(CC)C)c1ccccc1
SPLASH splash10-0udr-9600000000-c8b0cdc8ffa4b538a1bd
Source of Spectrum J-56-5826-0
Synonyms syn-3-(Phenylhydroxymethyl)-3-methyl-5-pentanone 3-[hydroxy(phenyl)methyl]-3-methylpentanal
Wiley ID 1204812