| SpectraBase Spectrum ID |
Hqwp4NvR13g |
| Name |
Fumaric acid, 2-(1-adamantyl)ethyl nonyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-12-28-23(26)9-10-24(27)29-13-11-25-17-20-14-21(18-25)16-22(15-20)19-25/h9-10,20-22H,2-8,11-19H2,1H3/b10-9+/t20-,21+,22-,25+ |
| InChIKey |
VJSINNMCCDBLEA-BEXNAPICSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])CCOC(\C=C\C(OCCCCCCCCC)=O)=O |
