| SpectraBase Spectrum ID |
J9IIkXcwVi5 |
| Name |
Adipic 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 |
308.198759378 u |
| Formula |
C18H28O4 |
| InChI |
InChI=1S/C18H28O4/c1-2-21-16(19)5-3-4-6-17(20)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-15,18H,2-11H2,1H3/t12-,13+,14-,15+,18? |
| InChIKey |
WYGMMRSLTAZDHZ-SPJIPBMUSA-N |
| Molecular Weight |
308.418 g/mol |
| SMILES |
C(CCC(=O)OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])CC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98418 |
