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1H-Cyclopropa[de]-2-benzopyran-3a,6a(3H,6H)-dicarboxylic acid, 3b,6b-dihydro-3-oxo-, dimethyl ester, (3a.alpha.,3b.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID F8Utm1Hj7kG
InChI InChI=1S/C13H14O6/c1-17-9(14)12-5-3-4-7-8(12)13(7,10(15)18-2)11(16)19-6-12/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,12+,13-/m0/s1
InChIKey JTCXFALGQYSVII-VLIVSTDHSA-N
Mol Weight 266.25 g/mol
Molecular Formula C13H14O6
Exact Mass 266.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQ90ZR7qx1m
Name 1H-Cyclopropa[de]-2-benzopyran-3a,6a(3H,6H)-dicarboxylic acid, 3b,6b-dihydro-3-oxo-, dimethyl ester, (3a.alpha.,3b.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
CAS Registry Number 74269-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O6
InChI InChI=1S/C13H14O6/c1-17-9(14)12-5-3-4-7-8(12)13(7,10(15)18-2)11(16)19-6-12/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,12+,13-/m0/s1
InChIKey JTCXFALGQYSVII-VLIVSTDHSA-N
Molecular Weight 266.249 g/mol
SMILES [C@@]12([C@@]3([C@@](C(=O)OC)(CC=C[C@]23[H])COC1=O)[H])C(=O)OC
SPLASH splash10-0udi-0090000000-0381166854b3ea7c2358
Source of Spectrum F-35-2395-0
Synonyms Dimethyl (3aS,3bS,6aS,6bS)-3-oxo-3b,6b-dihydro-1H-2-oxacyclopropa[de]naphthalene-3a,6a(3H,6H)-dicarboxylate Methyl 1.alpha.-methoxycarbonylmethyl-3-oxatricyclo[4.4.0.0(1,10)]deca-8-en-4-one-5.beta.-carboxylic acid
Wiley ID 1269680