| SpectraBase Spectrum ID |
DpldMVou0jR |
| Name |
2,2-Dimethylpropanoic acid, 2-(1-adamantyl)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-16(2,3)15(18)19-5-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,4-11H2,1-3H3/t12-,13+,14-,17+ |
| InChIKey |
HOUPGUXYSFCRFS-DNRSYURNSA-N |
| Molecular Weight |
264.409 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(C(C)(C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848508 |
