| SpectraBase Spectrum ID |
7nxfhaOzr48 |
| Name |
Fumaric acid, 1-adamantylmethyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-2-3-4-5-6-9-25-20(23)7-8-21(24)26-16-22-13-17-10-18(14-22)12-19(11-17)15-22/h7-8,17-19H,2-6,9-16H2,1H3/b8-7+/t17-,18+,19-,22- |
| InChIKey |
PZGIVBJXGRCOLD-ZITXTOOESA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(\C=C\C(OCCCCCCC)=O)=O |
