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(4S)-4-[(S)-cyclohexyl(hydroxy)methyl]-2,2-dimethyl-1,3-dioxan-5-one
SpectraBase Compound ID L9z7P48NjiC
InChI InChI=1S/C13H22O4/c1-13(2)16-8-10(14)12(17-13)11(15)9-6-4-3-5-7-9/h9,11-12,15H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKey PSCRXHAUUNZEKD-NWDGAFQWSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hm1GR0kIidN
Name (4S)-4-[(S)-cyclohexyl(hydroxy)methyl]-2,2-dimethyl-1,3-dioxan-5-one
Alternate Name(s) (4S)-4-[(S)-cyclohexyl(oxidanyl)methyl]-2,2-dimethyl-1,3-dioxan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-13(2)16-8-10(14)12(17-13)11(15)9-6-4-3-5-7-9/h9,11-12,15H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKey PSCRXHAUUNZEKD-NWDGAFQWSA-N
Molecular Weight 242.315 g/mol
SMILES O[C@]([C@@]1(OC(C)(C)OCC1=O)[H])(C1CCCCC1)[H]
SPLASH splash10-0ab9-9100000000-f3a57a27d76605f1600c
Source of Spectrum SO-0-1099-5
Wiley ID 874004