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(3S,4R,5R,6S)-4,5-Isopropylidenedioxyoctane-3,6-diol
SpectraBase Compound ID ESux87VNOSA
InChI InChI=1S/C11H22O4/c1-5-7(12)9-10(8(13)6-2)15-11(3,4)14-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKey DQTPSPALDJONJO-AXTSPUMRSA-N
Mol Weight 218.29 g/mol
Molecular Formula C11H22O4
Exact Mass 218.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wZZfDlLMF7
Name (3S,4R,5R,6S)-4,5-Isopropylidenedioxyoctane-3,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O4
InChI InChI=1S/C11H22O4/c1-5-7(12)9-10(8(13)6-2)15-11(3,4)14-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKey DQTPSPALDJONJO-AXTSPUMRSA-N
Molecular Weight 218.293 g/mol
SMILES O[C@]([C@@]1([C@@]([C@@](O)(CC)[H])(OC(O1)(C)C)[H])[H])(CC)[H]
SPLASH splash10-0a4i-9700000000-656d674d0395fdcb4c8b
Source of Spectrum F-52-542-32
Synonyms (1S)-1-[(4R,5R)-5-[(1S)-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol (3S,4R,5R,6S)-4,5-Isopropylidenedioxyoctane-3,5-diol
Wiley ID 794568