| SpectraBase Spectrum ID |
D78XNLNTUYo |
| Name |
1,3-Dimethyladamantan-5-carboxylic acid, ethyl 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/c1-4-17-12(16)15-7-11-5-13(2,9-15)8-14(3,6-11)10-15/h11H,4-10H2,1-3H3/t11-,13+,14-,15- |
| InChIKey |
DCOZPYZUIKIADB-FHRQKTJPSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])C(=O)OCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971207 |
