| SpectraBase Spectrum ID |
Etw0rMQxhIo |
| Name |
1-Adamantanecarboxylic acid, 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.177630011 u |
| Formula |
C19H24O2 |
| InChI |
InChI=1S/C19H24O2/c20-18(21-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h1-5,15-17H,6-13H2/t15-,16+,17-,19- |
| InChIKey |
LSAWTBDIUIUZAI-SXOLKLDHSA-N |
| SMILES |
C1(=CC=CC=C1)CCOC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950383 |
