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4-Oxo-adamantane-1-carboxylic acid methyl ester
SpectraBase Compound ID A9gExiIpyyx
InChI InChI=1S/C12H16O3/c1-15-11(14)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-9H,2-6H2,1H3/t7-,8-,9+,12-
InChIKey DUPFRYAOGHZOCO-KYUYVKOESA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9g4KBr8XtuP
Name 4-Oxo-adamantane-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-15-11(14)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-9H,2-6H2,1H3/t7-,8-,9+,12-
InChIKey DUPFRYAOGHZOCO-KYUYVKOESA-N
Molecular Weight 208.257 g/mol
SMILES [C@]12(C(=O)OC)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3=O)[H])[H])[H]
SPLASH splash10-055g-7920000000-acc7f64e273129f81f90
Synonyms 4-ketoadamantane-1-carboxylic acid methyl ester 4-Oxo-1-adamantanecarboxylic acid methyl ester Methyl 4-oxidanylideneadamantane-1-carboxylate Methyl 4-oxo-1-adamantanecarboxylate Methyl 4-oxoadamantane-1-carboxylate
Wiley ID 1449019