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(6S)-6-[(2S)-2-hydroxyheptyl]-2-oxanone
SpectraBase Compound ID JtoXObVLYdT
InChI InChI=1S/C12H22O3/c1-2-3-4-6-10(13)9-11-7-5-8-12(14)15-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKey XLTJMMLYOQDLMD-QWRGUYRKSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nvsiOmZnM
Name (6S)-6-[(2S)-2-hydroxyheptyl]-2-oxanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-2-3-4-6-10(13)9-11-7-5-8-12(14)15-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKey XLTJMMLYOQDLMD-QWRGUYRKSA-N
Molecular Weight 214.305 g/mol
SMILES O[C@](C[C@]1(OC(=O)CCC1)[H])(CCCCC)[H]
SPLASH splash10-06r6-9300000000-92520d38f150291eb17d
Source of Spectrum U1-2002-3890-3
Synonyms (6S)-6-[(2S)-2-hydroxyheptyl]oxan-2-one (6S)-6-[(2S)-2-hydroxyheptyl]tetrahydropyran-2-one (6S)-6-[(2S)-2-oxidanylheptyl]oxan-2-one
Wiley ID 1523544