| SpectraBase Spectrum ID |
4nUHJRaTGzN |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.339609957 u |
| Formula |
C28H46O4 |
| InChI |
InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-11-14-31-27(29)24-12-9-10-13-25(24)28(30)32-26-22-16-20-15-21(18-22)19-23(26)17-20/h20-26H,2-19H2,1H3/t20-,21+,22-,23+,24?,25?,26? |
| InChIKey |
KPFYZJMRRSAZQH-CHJSBCLZSA-N |
| Molecular Weight |
446.672 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCC)=O)(=O)OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880526 |
