| SpectraBase Spectrum ID |
9JPEiJ0XvgZ |
| Name |
2-Methyladamantylcarboxylic 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/c1-12(11(13)14)9-3-7-2-8(5-9)6-10(12)4-7/h7-10H,2-6H2,1H3,(H,13,14)/t7-,8+,9-,10+,12? |
| InChIKey |
SAZBTZFOGNIYBW-NSGSHLJASA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
C1([C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])(C(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979624 |
