| SpectraBase Spectrum ID |
LW9RhCIbN41 |
| Name |
1-Adamantanecarboxylic acid, 3-phenyl-2-propenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c21-19(22-8-4-7-15-5-2-1-3-6-15)20-12-16-9-17(13-20)11-18(10-16)14-20/h1-7,16-18H,8-14H2/b7-4+/t16-,17+,18-,20- |
| InChIKey |
KKEAQVCVHSXUGO-JGEVVUBMSA-N |
| SMILES |
C1(=CC=CC=C1)\C=C\COC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944082 |
