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6-METHOXYCARBONYLTRICYClO-[5.3.0.0(2,6)]-DECAN-3-ONE
SpectraBase Compound ID BuvcDZ7J3FW
InChI InChI=1S/C12H16O3/c1-15-11(14)12-6-5-9(13)10(12)7-3-2-4-8(7)12/h7-8,10H,2-6H2,1H3/t7-,8+,10-,12+/m0/s1
InChIKey WDIYAEGOKKQQHP-RBPQBLHMSA-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 5q36VsN51cR
Name Cyclobuta[1,2:3,4]dicyclopentene-3a(1H)-carboxylic acid, octahydro-1-oxo-, methyl ester, (3a.alpha.,3b.beta.,6a.beta.,6b.alph a.)-(.+-.)-
CAS Registry Number 119245-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-15-11(14)12-6-5-9(13)10(12)7-3-2-4-8(7)12/h7-8,10H,2-6H2,1H3/t7-,8+,10-,12+/m0/s1
InChIKey WDIYAEGOKKQQHP-RBPQBLHMSA-N
Molecular Weight 208.257 g/mol
SMILES [C@]12([C@@](C(=O)CC2)([H])[C@@]2([C@]1(CCC2)[H])[H])C(=O)OC
SPLASH splash10-0006-2900000000-1ef7ef9cd8ae929f2fa9
Source of Spectrum J-54-1808-20
Synonyms Methyl (3aR,3bR,6aS,6bR)-1-oxooctahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopentene-3a(1H)-carboxylate
Wiley ID 1206910