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3-(hydroxymethyl)-4-methyl-1-phenyl-2-pentanone
SpectraBase Compound ID 5V2AH20QdjN
InChI InChI=1S/C13H18O2/c1-10(2)12(9-14)13(15)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKey KQMPRCLGMHLRSC-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 HxG5Dwt2hge
Name 3-(hydroxymethyl)-4-methyl-1-phenyl-2-pentanone
Alternate Name(s) 3-(hydroxymethyl)-4-methyl-1-phenyl-pentan-2-one 4-Methyl-3-methylol-1-phenyl-pentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-10(2)12(9-14)13(15)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKey KQMPRCLGMHLRSC-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES OCC(C(Cc1ccccc1)=O)C(C)C
SPLASH splash10-0a4i-8790000000-cd0624204706cfca1acc
Source of Spectrum J-64-8757-4
Wiley ID 1531668