| SpectraBase Spectrum ID |
LJVcgBhzZ7e |
| Name |
Phthalic 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/c1-2-3-6-9-27-22(25)20-7-4-5-8-21(20)23(26)28-16-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,17-19H,2-3,6,9-16H2,1H3/t17-,18+,19-,24- |
| InChIKey |
TZSUGAOCCCHTOQ-PCFUMONKSA-N |
| Molecular Weight |
384.516 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C(=O)OCCCCC)(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
