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(1R*,3S*,5S*,8R*)-3-acetyl-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-8-carbaldehyde
SpectraBase Compound ID LQeZzwsGFOz
InChI InChI=1S/C12H18O3/c1-8(14)9-4-11(2)7-15-12(3,5-9)10(11)6-13/h6,9-10H,4-5,7H2,1-3H3/t9-,10+,11+,12+/m0/s1
InChIKey RNMZJSWJSKGXMM-IRCOFANPSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JJ03bkDqq
Name (1R*,3S*,5S*,8R*)-3-acetyl-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-8-carbaldehyde
Alternate Name(s) (1R,3S,5S,8R)-3-acetyl-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-8-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-8(14)9-4-11(2)7-15-12(3,5-9)10(11)6-13/h6,9-10H,4-5,7H2,1-3H3/t9-,10+,11+,12+/m0/s1
InChIKey RNMZJSWJSKGXMM-IRCOFANPSA-N
Literature Reference DOI 10.1021/ol7028178
Molecular Weight 210.273 g/mol
SMILES C1[C@@](C[C@]2(OC[C@]1(C)[C@]2(C=O)[H])C)(C(C)=O)[H]
SPLASH splash10-0abi-9100000000-24d5d065f8c6a5464b35
Source of Spectrum A1-10-449/SMS7-6
Wiley ID 1759011