| SpectraBase Spectrum ID |
BZ4UrF9BeQP |
| Name |
Terephthalic acid, 2-adamantyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.245709571 u |
| Formula |
C25H34O4 |
| InChI |
InChI=1S/C25H34O4/c1-2-3-4-5-6-11-28-24(26)19-7-9-20(10-8-19)25(27)29-23-21-13-17-12-18(15-21)16-22(23)14-17/h7-10,17-18,21-23H,2-6,11-16H2,1H3/t17-,18+,21-,22+,23? |
| InChIKey |
IAJIOLZJKSTBGQ-USSLWURLSA-N |
| Molecular Weight |
398.543 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)C(OCCCCCCC)=O |
