| SpectraBase Spectrum ID |
K3cnqb80Buv |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.323959893 u |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-2-3-4-5-6-7-10-13-30-26(28)23-11-8-9-12-24(23)27(29)31-25-21-15-19-14-20(17-21)18-22(25)16-19/h19-25H,2-18H2,1H3/t19-,20+,21-,22+,23?,24?,25? |
| InChIKey |
JRLKAAGIKJJHFX-VVCHTIHNSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
C1([C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])OC(C1CCCCC1C(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822656 |
