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1,2,4-Metheno-1H-indene-5-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-7-oxo-,methyl ester
SpectraBase Compound ID LSdtcUFNLD
InChI InChI=1S/C12H12O3/c1-15-12(14)6-3-7(13)9-4-2-5-10(8(4)6)11(5)9/h3-5,8-11H,2H2,1H3/t4-,5+,8+,9?,10+,11-/m1/s1
InChIKey SSCCGMLMDBMQFW-XBWMUAMESA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXdqkFMY5e2
Name 1,2,4-Metheno-1H-indene-5-carboxylic acid, 2,3,3a,4,7,7a-hexahydro-7-oxo-,methyl ester
CAS Registry Number 65055-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-15-12(14)6-3-7(13)9-4-2-5-10(8(4)6)11(5)9/h3-5,8-11H,2H2,1H3/t4-,5+,8+,9?,10+,11-/m1/s1
InChIKey SSCCGMLMDBMQFW-XBWMUAMESA-N
Molecular Weight 204.225 g/mol
SMILES [C@@]12([C@]3(C4C(=O)C=C([C@@]2([C@]4(C[C@@]13[H])[H])[H])C(=O)OC)[H])[H]
SPLASH splash10-014i-2930000000-2ac42fe2f60561127ba1
Source of Spectrum H-60-2167-0
Synonyms Methyl 10-oxotetracyclo[4.4.0.0(2,4).0(3,7)]dec-8-ene-8-carboxylate Methyl 5-oxo-1,2,4-metheno-2,3,3a,4,5,7a-hexahydro-1H-indene-7-carboxylate
Wiley ID 1201806