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3a,7a:4,7-Diethano-1H-indene-5-carboxylic acid, 4,5,6,7-tetrahydro-1-oxo-, methyl ester, (3a.alpha.,4.alpha.,5.beta.,7.alpha.,7a.alpha.)-
SpectraBase Compound ID C6tdPEx0FHc
InChI InChI=1S/C15H18O3/c1-18-13(17)10-8-9-2-3-11(10)14-5-4-12(16)15(9,14)7-6-14/h4-5,9-11H,2-3,6-8H2,1H3/t9-,10-,11+,14+,15-/m1/s1
InChIKey MIICXGNEGZCQFH-HFLGISGGSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjXTed2Z8sZ
Name 3a,7a:4,7-Diethano-1H-indene-5-carboxylic acid, 4,5,6,7-tetrahydro-1-oxo-, methyl ester, (3a.alpha.,4.alpha.,5.beta.,7.alpha.,7a.alpha.)-
CAS Registry Number 131236-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-18-13(17)10-8-9-2-3-11(10)14-5-4-12(16)15(9,14)7-6-14/h4-5,9-11H,2-3,6-8H2,1H3/t9-,10-,11+,14+,15-/m1/s1
InChIKey MIICXGNEGZCQFH-HFLGISGGSA-N
Molecular Weight 246.306 g/mol
SMILES [C@@]123[C@]([C@@]4(CC[C@]3([C@@](C4)(C(=O)OC)[H])[H])[H])(C(=O)C=C2)CC1
SPLASH splash10-05o0-0950000000-b13c9442c7b0c131fad9
Source of Spectrum J-56-1002-18
Synonyms Methyl (1R,2S,3R,5R,6S)-7-oxotetracyclo[4.3.2.2(2,5).0(1,6)]tridec-8-ene-3-carboxylate Methyl 7-oxo-ethano[4.3.2]propella-8-en-3-carboxylate
Wiley ID 1249236