| SpectraBase Spectrum ID |
FXLsfEKA3vy |
| Name |
3-Methyl-2-butenoic 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 |
262.193280075 u |
| Formula |
C17H26O2 |
| InChI |
InChI=1S/C17H26O2/c1-12(2)5-16(18)19-4-3-17-9-13-6-14(10-17)8-15(7-13)11-17/h5,13-15H,3-4,6-11H2,1-2H3/t13-,14+,15-,17+ |
| InChIKey |
JDWYQNSCKIOJDS-OOIBXKBGSA-N |
| Molecular Weight |
262.393 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C=C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969596 |
