| SpectraBase Spectrum ID |
4LVLIEjByTR |
| Name |
Fumaric acid, 2-adamantyl propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-2-5-20-15(18)3-4-16(19)21-17-13-7-11-6-12(9-13)10-14(17)8-11/h3-4,11-14,17H,2,5-10H2,1H3/b4-3+/t11-,12+,13-,14+,17? |
| InChIKey |
YLJXTODYNQCPTP-NFUJFGQXSA-N |
| SMILES |
C1([C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])OC(\C=C\C(=O)OCCC)=O |
