| SpectraBase Spectrum ID |
Foir74lPnDC |
| Name |
1-Adamantanecarboxylic acid, 1-adamantylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.240230268 u |
| Formula |
C22H32O2 |
| InChI |
InChI=1S/C22H32O2/c23-20(22-10-17-4-18(11-22)6-19(5-17)12-22)24-13-21-7-14-1-15(8-21)3-16(2-14)9-21/h14-19H,1-13H2/t14-,15+,16-,17-,18+,19-,21-,22- |
| InChIKey |
XCRHQLALTSJNGS-DMTULWOASA-N |
| Molecular Weight |
328.496 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967913 |
