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1H-Cycloprop[e]azulene-7-carboxylic acid, decahydro-1,1-dimethyl-4-oxo-, methyl ester, [1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-
SpectraBase Compound ID 5t7CXuAtSdd
InChI InChI=1S/C15H22O3/c1-15(2)10-6-7-11(16)8-4-5-9(14(17)18-3)12(8)13(10)15/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10+,12-,13+/m1/s1
InChIKey RHYDKJGXDFBEJB-XYNYFCMSSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bnf84z2S4GJ
Name 1H-Cycloprop[e]azulene-7-carboxylic acid, decahydro-1,1-dimethyl-4-oxo-, methyl ester, [1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-
CAS Registry Number 77346-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-15(2)10-6-7-11(16)8-4-5-9(14(17)18-3)12(8)13(10)15/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10+,12-,13+/m1/s1
InChIKey RHYDKJGXDFBEJB-XYNYFCMSSA-N
Molecular Weight 250.338 g/mol
SMILES [C@]12(C(C)(C)[C@]2(CCC([C@@]2([C@@]1([C@@](C(=O)OC)(CC2)[H])[H])[H])=O)[H])[H]
SPLASH splash10-0api-9450000000-98ec20a3273497175ef5
Source of Spectrum K-114-127-0
Synonyms Methyl (1aS,4aS,7S,7aR,7bR)-1,1-dimethyl-4-oxodecahydro-1H-cyclopropa[e]azulene-7-carboxylate Methyl ester of (1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.))-1,1-dimethyl-4-oxoperhydro-1H-cycloprop(E)azulen-7-carboxylic acid [1aS-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-1,1-dimethyl-4-oxoperhyddro-1H-cycloprop[e]azulen-7-carbonic acid-methylester
Wiley ID 1253585