| SpectraBase Spectrum ID |
EmRgnDQHg8v |
| Name |
1-Adamantanecarboxylic acid, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.302830526 u |
| Formula |
C23H40O2 |
| InChI |
InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-22(24)23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3/t19-,20+,21-,23- |
| InChIKey |
IEIIVXJDBBBRKR-HOFYVFDJSA-N |
| Molecular Weight |
348.571 g/mol |
| SMILES |
CCCCCCCCCCCCOC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951134 |
