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1-Adamantanecarboxylic acid

View entire compound with spectra: 45 NMR, 5 FTIR, 2 Raman, and 15 MS (GC)

1-Adamantanecarboxylic acid
SpectraBase Compound ID DRY2nCev0QV
InChI InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-
InChIKey JIMXXGFJRDUSRO-KJZNFTALSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhtuvkbdSMG
Name Adamantane-1-carboxylic acid
Alternate Name(s) 1-Adamantanecarboxylic acid 1-Carboxyadamantane 3-Adamantanecarboxylic acid Adamantanecarboxylic acid Adamantoic acid Tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid Tricyclo[3.3.1.1(3,7)-]decane-1-carboxylic acid Tricyclo[3.3.1.1<3,7>]-decane-1-carboxylic acid AI3-52431 EINECS 212-584-6 NSC 94182
CAS Registry Number 828-51-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-
InChIKey JIMXXGFJRDUSRO-KJZNFTALSA-N
Molecular Weight 180.247 g/mol
SMILES OC(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-002r-9800000000-9d93514c62d062be071c
Source of Spectrum AD-0-2532-0
Wiley ID 1432976