| SpectraBase Spectrum ID |
4mXfQG3tuXP |
| Name |
Fumaric acid, 2-(1-adamantyl)ethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-14(2)13-24-19(22)4-3-18(21)23-6-5-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-4,14-17H,5-13H2,1-2H3/b4-3+/t15-,16+,17-,20+ |
| InChIKey |
ZVTMTZILVRUGPS-YBPYJERQSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CCOC(\C=C\C(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933901 |
