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(3S)-3-(1S,2R)-6-Hydroxy-1,2,6-tri-methylheptyl)-3-methylcyclohexan-1-one
SpectraBase Compound ID LYSVZ32n0qu
InChI InChI=1S/C17H32O2/c1-13(8-6-10-16(3,4)19)14(2)17(5)11-7-9-15(18)12-17/h13-14,19H,6-12H2,1-5H3/t13?,14?,17-/m0/s1
InChIKey GBQASSKHDCCDGJ-KVULBXGLSA-N
Mol Weight 268.4 g/mol
Molecular Formula C17H32O2
Exact Mass 268.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 779ypJgHLZ5
Name (3S)-3-(1S,2R)-6-Hydroxy-1,2,6-tri-methylheptyl)-3-methylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O2
InChI InChI=1S/C17H32O2/c1-13(8-6-10-16(3,4)19)14(2)17(5)11-7-9-15(18)12-17/h13-14,19H,6-12H2,1-5H3/t13?,14?,17-/m0/s1
InChIKey GBQASSKHDCCDGJ-KVULBXGLSA-N
Molecular Weight 268.441 g/mol
SMILES OC(CCCC(C([C@@]1(CC(=O)CCC1)C)C)C)(C)C
SPLASH splash10-0bt9-9400000000-e910767df807a45b5bcb
Source of Spectrum F2-42-3552-43
Synonyms (3S)-3-(6-Hydroxy-1,2,6-tri-methylheptyl)-3-methylcyclohexan-1-one (3S)-3-((1S,2R)-6-Hydroxy-1,2,6-tri-methylheptyl)-3-methylcyclohexan-1-one (3S)-3-(6-hydroxy-1,2,6-trimethylheptyl)-3-methylcyclohexanone
Wiley ID 1600327