| SpectraBase Spectrum ID |
K5Vt8Ncu4TP |
| Name |
Fumaric acid, 2-(1-adamantyl)ethyl undecyl 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/c1-2-3-4-5-6-7-8-9-10-14-30-25(28)11-12-26(29)31-15-13-27-19-22-16-23(20-27)18-24(17-22)21-27/h11-12,22-24H,2-10,13-21H2,1H3/b12-11+/t22-,23+,24-,27+ |
| InChIKey |
UUOLAYTWSFECEZ-XGBJZJHYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
C(OC(\C=C\C(OCCCCCCCCCCC)=O)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905732 |
