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Tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, 4,8-dioxo-, methyl ester
SpectraBase Compound ID 58yBqlMZ4gW
InChI InChI=1S/C12H14O4/c1-16-12(15)9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9H,2-4H2,1H3
InChIKey PLMQPUSQIPZMCP-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtHi3T9ItOM
Name Tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, 4,8-dioxo-, methyl ester
Alternate Name(s) Methyl 4,8-dioxo-2-adamantanecarboxylate 2-Adamantanecarboxylic acid, 4,8-dioxo-, methyl ester 4,8-Diketoadamantane-2-carboxylic acid methyl ester 4,8-Dioxo-2-adamantanecarboxylic acid methyl ester Methyl 4,8-bis(oxidanylidene)adamantane-2-carboxylate Methyl 4,8-dioxoadamantane-2-carboxylate
CAS Registry Number 5202-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-16-12(15)9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9H,2-4H2,1H3
InChIKey PLMQPUSQIPZMCP-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(OC)(=O)C1C2C(=O)C3CC1C(=O)C(C2)C3
SPLASH splash10-0uk9-6920000000-326d48aeb59e39552c7f
Source of Spectrum O-7-491-6
Wiley ID 28830