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2-Oxabicyclo[2.2.2]octane-3-methanol, 5-(acetyloxy)-1,3-dimethyl-, acetate, (1.alpha.,3.beta.,4.alpha.,5.beta.)-(.+-.)-
SpectraBase Compound ID By5x1m29rR0
InChI InChI=1S/C14H22O5/c1-9(15)17-8-14(4)11-5-6-13(3,19-14)7-12(11)18-10(2)16/h11-12H,5-8H2,1-4H3/t11-,12+,13+,14+/m1/s1
InChIKey MVVYBVSKCLCSPS-RFGFWPKPSA-N
Mol Weight 270.32 g/mol
Molecular Formula C14H22O5
Exact Mass 270.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEFxdEG5gxU
Name 2-Oxabicyclo[2.2.2]octane-3-methanol, 5-(acetyloxy)-1,3-dimethyl-, acetate, (1.alpha.,3.beta.,4.alpha.,5.beta.)-(.+-.)-
CAS Registry Number 107149-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O5
InChI InChI=1S/C14H22O5/c1-9(15)17-8-14(4)11-5-6-13(3,19-14)7-12(11)18-10(2)16/h11-12H,5-8H2,1-4H3/t11-,12+,13+,14+/m1/s1
InChIKey MVVYBVSKCLCSPS-RFGFWPKPSA-N
Molecular Weight 270.325 g/mol
SMILES [C@]1([C@]2([C@@](OC(=O)C)(C[C@@](O1)(CC2)C)[H])[H])(COC(=O)C)C
SPLASH splash10-0006-9200000000-c64bfb27b1434718bf3b
Source of Spectrum J-52-1510-39
Synonyms exo-5-hydroxy-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-3-ane-methanol diacetate [(1S,3R,4R,5S)-5-(acetyloxy)-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-3-yl]methyl acetate
Wiley ID 1274027