| SpectraBase Spectrum ID |
DJ9349TKn3g |
| Name |
1-Adamantanecarboxylic acid, 3-tridecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.318480590 u |
| Formula |
C24H42O2 |
| InChI |
InChI=1S/C24H42O2/c1-3-5-6-7-8-9-10-11-12-22(4-2)26-23(25)24-16-19-13-20(17-24)15-21(14-19)18-24/h19-22H,3-18H2,1-2H3/t19-,20+,21-,22?,24- |
| InChIKey |
LPLZVTMFPAEFHX-HTTHZCCWSA-N |
| Molecular Weight |
362.598 g/mol |
| SMILES |
C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)C(OC(CC)CCCCCCCCCC)=O)[H])[H])[H] |
