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1-[(1R*,3R*,5S*,8R*)-8-(hydroxymethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-3-yl]ethanone
SpectraBase Compound ID KM0eXG3V7Eo
InChI InChI=1S/C12H20O3/c1-8(14)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 GRUSBCJCIYDAPK-RHYQMDGZSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IDSwaDMOQx
Name 1-[(1R*,3R*,5S*,8R*)-8-(hydroxymethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-3-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-8(14)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 GRUSBCJCIYDAPK-RHYQMDGZSA-N
Literature Reference DOI 10.1021/ol7028178
Molecular Weight 212.289 g/mol
SMILES OC[C@@]1([C@]2(OC[C@@]1(C[C@](C2)(C(C)=O)[H])C)C)[H]
SPLASH splash10-0159-0910000000-5dbdfc1f9e0ccba19b9d
Source of Spectrum A1-10-449/SMS8-14
Synonyms 1-((1R,3R,5S,8R)-8-(hydroxymethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-yl)ethanone
Wiley ID 1759005