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2,4-Methano-2H-pentaleno[1,6-bc]furan-3(2aH)-one, 2-ethoxyhexahydro-, (.+-.)-
SpectraBase Compound ID pV7Zmkg4BD
InChI InChI=1S/C12H16O3/c1-2-14-12-5-7-6-3-4-8(15-12)9(6)10(12)11(7)13/h6-10H,2-5H2,1H3/t6-,7+,8+,9-,10-,12+/m1/s1
InChIKey DTVMKWNDJYFZCZ-IBOBGJODSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID q3uAWkTwPI
Name 2,4-Methano-2H-pentaleno[1,6-bc]furan-3(2aH)-one, 2-ethoxyhexahydro-, (.+-.)-
CAS Registry Number 123559-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-2-14-12-5-7-6-3-4-8(15-12)9(6)10(12)11(7)13/h6-10H,2-5H2,1H3/t6-,7+,8+,9-,10-,12+/m1/s1
InChIKey DTVMKWNDJYFZCZ-IBOBGJODSA-N
Molecular Weight 208.257 g/mol
SMILES [C@@]12([C@]3(O[C@@]4([C@]2([C@@](CC4)([H])[C@](C1=O)([H])C3)[H])[H])OCC)[H]
SPLASH splash10-001i-0930000000-6f67a41353af406a32f4
Source of Spectrum F-45-1404-17
Synonyms (+-)-(1S*,3R*,5R*,7S*,8S*,9R*)-3-Ethoxy-2-oxatetracyclo[6.3.0.0(3,7).0(5,9)]undecan-6-one (1S,2S,3S,6S,8R,10R)-8-ethoxy-7-oxatetracyclo[6.3.0.0(2,6).0(3,10)]undecan-11-one
Wiley ID 1206881