| SpectraBase Spectrum ID |
C2Ds6Ey3E32 |
| Name |
Terephthalic acid, 1-adamantylmethyl pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.230059506 u |
| Formula |
C24H32O4 |
| InChI |
InChI=1S/C24H32O4/c1-2-3-4-9-27-22(25)20-5-7-21(8-6-20)23(26)28-16-24-13-17-10-18(14-24)12-19(11-17)15-24/h5-8,17-19H,2-4,9-16H2,1H3/t17-,18+,19-,24- |
| InChIKey |
JQXVREQMFBZMPC-PCFUMONKSA-N |
| Molecular Weight |
384.516 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCC)=O)C(OCC12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O |
