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4a(2H)-Naphthalenecarboxylic acid, 3,4,5,6,7,8-hexahydro-1-methyl-2,5-dioxo-, methyl ester
SpectraBase Compound ID 1jsH5B1HVoe
InChI InChI=1S/C13H16O4/c1-8-9-4-3-5-11(15)13(9,12(16)17-2)7-6-10(8)14/h3-7H2,1-2H3
InChIKey JYNUGKFNBLYREM-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQgtQAoj8h8
Name 4a(2H)-Naphthalenecarboxylic acid, 3,4,5,6,7,8-hexahydro-1-methyl-2,5-dioxo-, methyl ester
Alternate Name(s) Methyl 2,3,4,4a,5,6,7,8-octahydro-1-methyl-2,5-dioxo-naphthalene-4a-carboxylate Methyl 8-methyl-4,7-dioxo-1,3,4,5,6,7-hexahydro-4a(2H)-naphthalenecarboxylate
CAS Registry Number 80900-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-9-4-3-5-11(15)13(9,12(16)17-2)7-6-10(8)14/h3-7H2,1-2H3
InChIKey JYNUGKFNBLYREM-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C12(C(=C(C)C(CC2)=O)CCCC1=O)C(=O)OC
SPLASH splash10-004i-0940000000-3de8e5dd67d45d58366a
Source of Spectrum F-42-2890-1
Wiley ID 1238058