| SpectraBase Spectrum ID |
Ibms6AXwKDs |
| Name |
2-(1-Adamantyl)-2-methyl-propionic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-14(2,13(16)17-3)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3 |
| InChIKey |
MZQFZCCCSBHNAZ-UHFFFAOYSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
C12(C(C(=O)OC)(C)C)CC3CC(C2)CC(C1)C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935198 |
