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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 JFMB3nidgNU
Name 1-Adamantanecarboxylic acid
CAS Registry Number 828-51-3
Classification Pharmaceutical drug intermediate
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 180.115029753 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 180.247 g/mol
Nominal Mass 180 u
Quality 1000
Retention Index 1553
SMILES OC(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O
SPLASH splash10-000i-9800000000-5d3ddf39d19c02c33f6f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Adamantane-1-carboxylicacid tricyclo[3.3.1.1(3,7])decane-1-carboxylic acid
Technique GC/MS
Wiley ID DD2024_029650