| SpectraBase Spectrum ID |
7GJ9V9dBTnc |
| Name |
1-Adamantanecarboxylic acid, 5-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.349780719 u |
| Formula |
C26H46O2 |
| InChI |
InChI=1S/C26H46O2/c1-3-5-7-8-9-10-11-12-14-24(13-6-4-2)28-25(27)26-18-21-15-22(19-26)17-23(16-21)20-26/h21-24H,3-20H2,1-2H3/t21-,22+,23-,24?,26- |
| InChIKey |
JJLWYVSKPKNLPU-KCLIVYASSA-N |
| Molecular Weight |
390.652 g/mol |
| SMILES |
C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)C(=O)OC(CCCC)CCCCCCCCCC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933953 |
