| SpectraBase Spectrum ID |
2wmTI23i5tu |
| Name |
Isophthalic acid, 1-adamantylmethyl ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.183109313 u |
| Formula |
C21H26O4 |
| InChI |
InChI=1S/C21H26O4/c1-2-24-19(22)17-4-3-5-18(9-17)20(23)25-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,14-16H,2,6-8,10-13H2,1H3/t14-,15+,16-,21- |
| InChIKey |
HPTPOGNGLYNXJS-OFIQSVQDSA-N |
| Molecular Weight |
342.435 g/mol |
| SMILES |
C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(COC(C1=CC(=CC=C1)C(OCC)=O)=O)C3)[H])[H])[H] |
