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2-Pentanone, 4-[2-(hydroxymethyl)phenyl]-
SpectraBase Compound ID BpStc1wh8pm
InChI InChI=1S/C12H16O2/c1-9(7-10(2)14)12-6-4-3-5-11(12)8-13/h3-6,9,13H,7-8H2,1-2H3
InChIKey WTHKMRWUNJMJNA-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rw5MreKg8z
Name 2-Pentanone, 4-[2-(hydroxymethyl)phenyl]-
Alternate Name(s) 4-Ortho-hydroxymethylphenyl-2-pentanone 4-[2-(hydroxymethyl)phenyl]-2-pentanone
CAS Registry Number 56640-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(7-10(2)14)12-6-4-3-5-11(12)8-13/h3-6,9,13H,7-8H2,1-2H3
InChIKey WTHKMRWUNJMJNA-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES OCc1c(C(CC(=O)C)C)cccc1
SPLASH splash10-00vi-2900000000-d6824628b17e815e2e63
Source of Spectrum AC-1975-791-0
Wiley ID 1188642