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5H-Benzocycloheptene-1,2-dicarboxylic acid, 6,7,8,9-tetrahydro-5-oxo-, dimethyl ester
SpectraBase Compound ID L8tuqd1iTeQ
InChI InChI=1S/C15H16O5/c1-19-14(17)11-8-7-9-10(13(11)15(18)20-2)5-3-4-6-12(9)16/h7-8H,3-6H2,1-2H3
InChIKey ICTOHXIFEGVUJF-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Huu3rRaAMkE
Name 5H-Benzocycloheptene-1,2-dicarboxylic acid, 6,7,8,9-tetrahydro-5-oxo-, dimethyl ester
Alternate Name(s) Dimethyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene-1,2-dicarboxylate Dimethyl ester of 5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-1,2-dicarboxylic acid
CAS Registry Number 74249-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-19-14(17)11-8-7-9-10(13(11)15(18)20-2)5-3-4-6-12(9)16/h7-8H,3-6H2,1-2H3
InChIKey ICTOHXIFEGVUJF-UHFFFAOYSA-N
Molecular Weight 276.288 g/mol
SMILES c12c(c(C(=O)OC)ccc2C(=O)CCCC1)C(=O)OC
SPLASH splash10-002o-2390000000-68758d50afc11686ab44
Source of Spectrum K-113-1589-0
Wiley ID 1279984