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4-Oxo-2-adamantanecarboxylic acid
SpectraBase Compound ID L6pevmE4lTn
InChI InChI=1S/C11H14O3/c12-10-7-2-5-1-6(4-7)9(11(13)14)8(10)3-5/h5-9H,1-4H2,(H,13,14)/t5-,6+,7-,8+,9?/m0/s1
InChIKey QBIZJUSCCUELJR-WUQSDXJHSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HltmG4XfrNc
Name 4-Oxo-2-adamantanecarboxylic acid
CAS Registry Number 100228-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c12-10-7-2-5-1-6(4-7)9(11(13)14)8(10)3-5/h5-9H,1-4H2,(H,13,14)/t5-,6+,7-,8+,9?/m0/s1
InChIKey QBIZJUSCCUELJR-WUQSDXJHSA-N
Molecular Weight 194.230 g/mol
SMILES OC(C1[C@@]2(C([C@@]3(C[C@]1(C[C@](C2)(C3)[H])[H])[H])=O)[H])=O
SPLASH splash10-002o-9500000000-fb8ded081c3e9eea11da
Source of Spectrum AD-0-2532-0
Synonyms 4-ketoadamantane-2-carboxylic acid 4-Oxidanylideneadamantane-2-carboxylic acid 4-Oxoadamantane-2-carboxylic acid Adamantane-2-carboxylic acid, 4-oxo-
Wiley ID 1431489