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(1R*,3R*,5S*,8R*)-8-(hydroxymethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-3-yl-acetate
SpectraBase Compound ID KSZ6Mb9659o
InChI InChI=1S/C12H20O4/c1-8(14)16-9-4-11(2)7-15-12(3,5-9)10(11)6-13/h9-10,13H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKey PNVBKEMMLOEFPS-RHYQMDGZSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rLGECkqiCn
Name (1R*,3R*,5S*,8R*)-8-(hydroxymethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-3-yl-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-8(14)16-9-4-11(2)7-15-12(3,5-9)10(11)6-13/h9-10,13H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKey PNVBKEMMLOEFPS-RHYQMDGZSA-N
Literature Reference DOI 10.1021/ol7028178
Molecular Weight 228.288 g/mol
SMILES OC[C@@]1([C@]2(OC[C@@]1(C[C@](C2)(OC(=O)C)[H])C)C)[H]
SPLASH splash10-056r-0900000000-014f915abd3af92ba7a5
Source of Spectrum A1-10-449/SMS9-15
Synonyms (1R,3R,5S,8R)-8-(hydroxymethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-yl acetate
Wiley ID 1759006