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2-ketoadamantane-1,3-dicarboxylic acid
SpectraBase Compound ID 2SjLZ5rax1a
InChI InChI=1S/C12H14O5/c13-8-11(9(14)15)2-6-1-7(4-11)5-12(8,3-6)10(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)/t6-,7+,11+,12-
InChIKey HIEMMRKYTQLXGF-AIQZBZIUSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ng4Gk8ZLCc
Name 2-ketoadamantane-1,3-dicarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c13-8-11(9(14)15)2-6-1-7(4-11)5-12(8,3-6)10(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)/t6-,7+,11+,12-
InChIKey HIEMMRKYTQLXGF-AIQZBZIUSA-N
Molecular Weight 238.239 g/mol
SMILES OC([C@@]12C([C@]3(C(=O)O)C[C@](C2)(C[C@](C1)(C3)[H])[H])=O)=O
SPLASH splash10-017i-9600000000-7bf576d690400a3b67b9
Synonyms 2-Oxidanylideneadamantane-1,3-dicarboxylic acid 2-Oxo-1,3-adamantanedicarboxylic acid 2-Oxoadamantane-1,3-dicarboxylic acid
Wiley ID 1482278