| SpectraBase Spectrum ID |
9sOxYyxQmyF |
| Name |
4-oxo-2-Adamantanecarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.094294308 u |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c12-10-7-2-5-1-6(4-7)9(11(13)14)8(10)3-5/h5-9H,1-4H2,(H,13,14)/t5-,6+,7-,8+,9?/m0/s1 |
| InChIKey |
QBIZJUSCCUELJR-WUQSDXJHSA-N |
| Molecular Weight |
194.230 g/mol |
| SMILES |
[C@]12(C([C@@]3(C[C@](C2C(=O)O)(C[C@](C1)(C3)[H])[H])[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943139 |
