| SpectraBase Spectrum ID |
AOhPlGIX3mD |
| Name |
Fumaric acid, 1-adamantylmethyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-2-3-4-5-6-7-10-26-21(24)8-9-22(25)27-17-23-14-18-11-19(15-23)13-20(12-18)16-23/h8-9,18-20H,2-7,10-17H2,1H3/b9-8+/t18-,19+,20-,23- |
| InChIKey |
KOLRCBNERPAQHJ-WHVKOPCISA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(\C=C\C(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878067 |
