| 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 |
