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1-Hydroxy-3-methyloctan-4-one
SpectraBase Compound ID BQCVlJhsMSP
InChI InChI=1S/C9H18O2/c1-3-4-5-9(11)8(2)6-7-10/h8,10H,3-7H2,1-2H3
InChIKey HTQDJBYUEMRZQE-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4czub7mPFzi
Name 1-Hydroxy-3-methyloctan-4-one
CAS Registry Number 88703-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-9(11)8(2)6-7-10/h8,10H,3-7H2,1-2H3
InChIKey HTQDJBYUEMRZQE-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OCCC(C(=O)CCCC)C
SPLASH splash10-0a4i-9100000000-b933a19c6368ac2198b1
Source of Spectrum J-49-1250-0
Synonyms 1-Hydroxy-3-methyl-4-octanone 3-Methyl-1-oxidanyl-octan-4-one
Wiley ID 1155493