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3bH-Cyclopenta[3,4]cyclobuta[1,2]benzene-3b-carboxylic acid, decahydro-7-oxo-, methyl ester, (3a.alpha.,3b.beta.,7a.beta.,7b.alph a.)-(.+-.)-
SpectraBase Compound ID 2C5lsxzuTNb
InChI InChI=1S/C13H18O3/c1-16-12(15)13-7-3-6-10(14)11(13)8-4-2-5-9(8)13/h8-9,11H,2-7H2,1H3/t8-,9+,11-,13+/m0/s1
InChIKey SXJXNFNWTNHFFG-IZWKTGJZSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28z6kSewKv5
Name 3bH-Cyclopenta[3,4]cyclobuta[1,2]benzene-3b-carboxylic acid, decahydro-7-oxo-, methyl ester, (3a.alpha.,3b.beta.,7a.beta.,7b.alph a.)-(.+-.)-
CAS Registry Number 90382-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-16-12(15)13-7-3-6-10(14)11(13)8-4-2-5-9(8)13/h8-9,11H,2-7H2,1H3/t8-,9+,11-,13+/m0/s1
InChIKey SXJXNFNWTNHFFG-IZWKTGJZSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12([C@@](C(=O)CCC2)([H])[C@@]2([C@]1(CCC2)[H])[H])C(=O)OC
SPLASH splash10-0a4i-1900000000-54926bbb3e28dec7cd01
Source of Spectrum J-54-1807-5
Synonyms Methyl (3aR,3bR,7aR,7bS)-7-oxodecahydro-3bH-cyclopenta[3,4]cyclobuta[1,2-a]benzene-3b-carboxylate
Wiley ID 1222617