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1-Methyl-4a-(methoxycarbonyl)-8-oxo-2,3,4,4a,5,6,7,8-octahydronaphthalene-4,5-dicarboxylic acid
SpectraBase Compound ID LtIqSuRdWh0
InChI InChI=1S/C13H18O5/c1-7-3-5-9(15)13(12(17)18-2)10(16)6-4-8(14)11(7)13/h9-10,15-16H,3-6H2,1-2H3
InChIKey KJPPUIZKWNFNPV-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU2C7oAsgOq
Name 1-Methyl-4a-(methoxycarbonyl)-8-oxo-2,3,4,4a,5,6,7,8-octahydronaphthalene-4,5-dicarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-7-3-5-9(15)13(12(17)18-2)10(16)6-4-8(14)11(7)13/h9-10,15-16H,3-6H2,1-2H3
InChIKey KJPPUIZKWNFNPV-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES OC1CCC(=C2C1(C(CCC2=O)O)C(=O)OC)C
SPLASH splash10-014r-0090000000-ae4393046cc29176b980
Source of Spectrum D1-1999-242-4
Synonyms 1-Methyl-4a-(methoxycarbonyl)-8-oxo-2,3,4,4a,5,6,7,8-octahydronaphthalene-4,5-dihydroxy
Wiley ID 835289