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(3R,6R,8S,9S)-3-ethyl-9-(hydroxymethyl)-5,11-dioxaspiro[5.5]undecan-8-ol
SpectraBase Compound ID 6791kIlgVwp
InChI InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10+,11+,12-/m1/s1
InChIKey VDWRKBZMQNPUOB-NOOOWODRSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77pWEEzwkh1
Name (3R,6R,8S,9S)-3-ethyl-9-(hydroxymethyl)-5,11-dioxaspiro[5.5]undecan-8-ol
CAS Registry Number 83780-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10+,11+,12-/m1/s1
InChIKey VDWRKBZMQNPUOB-NOOOWODRSA-N
Molecular Weight 230.304 g/mol
SMILES O[C@]1(C[C@@]2(OC[C@@]1(CO)[H])OC[C@@](CC2)(CC)[H])[H]
SPLASH splash10-004m-0900000000-5de5a09c7f0dcd9cd475
Source of Spectrum KC-1985-1882-12
Synonyms (3S,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol 1,7-Dioxaspiro(5.5)undecane-3-methanol, 9-ethyl-4-hydroxy-, (3S,4S,6R,9R)-
Wiley ID 1231661