| SpectraBase Spectrum ID |
Abn3tJfs7iw |
| Name |
Adipic acid, 2-(1-adamantyl)ethyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.292659764 u |
| Formula |
C24H40O4 |
| InChI |
InChI=1S/C24H40O4/c1-18(2)6-5-10-27-22(25)7-3-4-8-23(26)28-11-9-24-15-19-12-20(16-24)14-21(13-19)17-24/h18-21H,3-17H2,1-2H3/t19-,20+,21-,24+ |
| InChIKey |
GIOFFJMCOPBCQD-SNUACVQDSA-N |
| Molecular Weight |
392.580 g/mol |
| SMILES |
C(CCCC(=O)OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874469 |
