| SpectraBase Spectrum ID |
P3arzG1OYQ |
| Name |
Isophthalic acid, 2-adamantyl ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.167459249 u |
| Formula |
C20H24O4 |
| InChI |
InChI=1S/C20H24O4/c1-2-23-19(21)14-4-3-5-15(11-14)20(22)24-18-16-7-12-6-13(9-16)10-17(18)8-12/h3-5,11-13,16-18H,2,6-10H2,1H3/t12-,13+,16-,17+,18? |
| InChIKey |
HUFUHGMFQUODQN-PQXGLPLLSA-N |
| Molecular Weight |
328.408 g/mol |
| SMILES |
C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3OC(C1=CC(=CC=C1)C(OCC)=O)=O)[H])[H])[H])[H] |
