| SpectraBase Spectrum ID |
HRFEIDhYOUu |
| Name |
1-Adamantanecarboxylic acid, 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.193280075 u |
| Formula |
C20H26O2 |
| InChI |
InChI=1S/C20H26O2/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/h1-3,5-6,16-18H,4,7-14H2/t16-,17+,18-,20- |
| InChIKey |
MRYHIMKAZUFXBO-DSWCUTRASA-N |
| SMILES |
C1(=CC=CC=C1)CCCOC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954089 |
