| SpectraBase Spectrum ID |
9J1xs2BgujX |
| Name |
Fumaric acid, 1-adamantylmethyl propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-2-5-21-16(19)3-4-17(20)22-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h3-4,13-15H,2,5-12H2,1H3/b4-3+/t13-,14+,15-,18- |
| InChIKey |
KNSOQLBODTXHKZ-SSTHYPCESA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(COC(\C=C\C(OCCC)=O)=O)C3)[H])[H])[H] |
