| SpectraBase Spectrum ID |
tUonv0uzSK |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-2-23-19(21)16-5-3-4-6-17(16)20(22)24-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-18H,2-11H2,1H3/t12-,13+,14-,15+,16?,17?,18? |
| InChIKey |
YQXLJJRMHPXQEF-LBHFPHEQSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(C1CCCCC1C(OCC)=O)(=O)OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806927 |
