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(S)-2-hydroxy-6-(2-hydroxy-4-methylphenyl)-2-methylheptan-3-one
SpectraBase Compound ID 5aYQ2snRoVc
InChI InChI=1S/C15H22O3/c1-10-5-7-12(13(16)9-10)11(2)6-8-14(17)15(3,4)18/h5,7,9,11,16,18H,6,8H2,1-4H3/t11-/m0/s1
InChIKey OPIONRSEYDRIMF-NSHDSACASA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNcRIRUkgcK
Name (S)-2-hydroxy-6-(2-hydroxy-4-methylphenyl)-2-methylheptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10-5-7-12(13(16)9-10)11(2)6-8-14(17)15(3,4)18/h5,7,9,11,16,18H,6,8H2,1-4H3/t11-/m0/s1
InChIKey OPIONRSEYDRIMF-NSHDSACASA-N
Molecular Weight 250.338 g/mol
SMILES OC(C(CC[C@@](c1c(cc(cc1)C)O)(C)[H])=O)(C)C
SPLASH splash10-052s-3900000000-b79d52a33b95cd706d27
Source of Spectrum QC-25-1571-35
Synonyms (6S)-2-hydroxy-6-(2-hydroxy-4-methylphenyl)-2-methyl-3-heptanone (6S)-2-hydroxy-6-(2-hydroxy-4-methylphenyl)-2-methylheptan-3-one (6S)-2-methyl-6-(4-methyl-2-oxidanyl-phenyl)-2-oxidanyl-heptan-3-one
Wiley ID 1743365