| SpectraBase Spectrum ID |
AWTC7cAGVrB |
| Name |
1-Adamantanecarboxylic acid, 4-hexadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.365430784 u |
| Formula |
C27H48O2 |
| InChI |
InChI=1S/C27H48O2/c1-3-5-6-7-8-9-10-11-12-13-15-25(14-4-2)29-26(28)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-25H,3-21H2,1-2H3/t22-,23+,24-,25?,27- |
| InChIKey |
RMMACRUYKWYQIC-GJFNKETESA-N |
| Molecular Weight |
404.679 g/mol |
| SMILES |
C(CCCCCCCC)CCCC(CCC)OC(=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H] |
