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(2S,3S,6R)-6-Hydroxy-2,3-isopropylidenedioxycyclohexanone
SpectraBase Compound ID ISDcwovkglu
InChI InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h5-6,8,10H,3-4H2,1-2H3/t5-,6+,8+/m1/s1
InChIKey VTSDXZJNBJULGA-CHKWXVPMSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8ncd3dZmgF
Name (2S,3S,6R)-6-Hydroxy-2,3-isopropylidenedioxycyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h5-6,8,10H,3-4H2,1-2H3/t5-,6+,8+/m1/s1
InChIKey VTSDXZJNBJULGA-CHKWXVPMSA-N
Molecular Weight 186.207 g/mol
SMILES O[C@]1(C([C@]2(OC(C)(C)O[C@]2(CC1)[H])[H])=O)[H]
SPLASH splash10-0006-5900000000-f6c71cbd37e17922e6fd
Source of Spectrum KD-16-1398-4
Synonyms (3aS,5R,7aS)-5-hydroxy-2,2-dimethyltetrahydro-1,3-benzodioxol-4(3aH)-one
Wiley ID 1637649