| SpectraBase Spectrum ID |
F1XxkwPMBN7 |
| Name |
3-Methyl-1-adamantanecarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8-,9+,11-,12- |
| InChIKey |
XKTXEVJPJZIGGL-VSKBNFNDSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])[H])C)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929483 |
