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(1R,2S,3S,4R,6R)-3-Hydroxy-1-methylbicyclo[2.2.2]oct-7-ene-2,6-diyl Diacetate

View entire compound with spectra: 1 MS (GC)

(1R,2S,3S,4R,6R)-3-Hydroxy-1-methylbicyclo[2.2.2]oct-7-ene-2,6-diyl Diacetate
SpectraBase Compound ID Feyq14Y9K7A
InChI InChI=1S/C13H18O5/c1-7(14)17-10-6-9-4-5-13(10,3)12(11(9)16)18-8(2)15/h4-5,9-12,16H,6H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey LREBBXDSZMNLCC-UJPOAAIJSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iPcSaT53SZ
Name (1R,2S,3S,4R,6R)-3-Hydroxy-1-methylbicyclo[2.2.2]oct-7-ene-2,6-diyl Diacetate
Alternate Name(s) (1R,2S,4R,6R)-3-hydroxy-1-methylbicyclo[2.2.2]oct-7-ene-2,6-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-7(14)17-10-6-9-4-5-13(10,3)12(11(9)16)18-8(2)15/h4-5,9-12,16H,6H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey LREBBXDSZMNLCC-UJPOAAIJSA-N
Literature Reference DOI 10.1002/asia.201700456
Molecular Weight 254.282 g/mol
SMILES O[C@]1([C@]2(C[C@]([C@@](C=C2)([C@@]1(OC(C)=O)[H])C)(OC(C)=O)[H])[H])[H]
SPLASH splash10-052f-7900000000-469adc8f11e3a135ffb1
Source of Spectrum CAJ-12-1480/SM16-14
Wiley ID 1807936