| SpectraBase Spectrum ID |
OHnNso06yK |
| Name |
1-Adamantanecarboxylic acid, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.240230268 u |
| Formula |
C19H32O2 |
| InChI |
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-21-18(20)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3/t15-,16+,17-,19- |
| InChIKey |
HABNPYGVMJNTSQ-SXOLKLDHSA-N |
| SMILES |
CCCCCCCCOC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912961 |
