| SpectraBase Spectrum ID |
FuXHC4fHlTu |
| Name |
Phthalic acid, 1-adamantylmethyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.261359635 u |
| Formula |
C26H36O4 |
| InChI |
InChI=1S/C26H36O4/c1-2-3-4-5-8-11-29-24(27)22-9-6-7-10-23(22)25(28)30-18-26-15-19-12-20(16-26)14-21(13-19)17-26/h6-7,9-10,19-21H,2-5,8,11-18H2,1H3/t19-,20+,21-,26- |
| InChIKey |
BYNQXSCSMPIVGL-AFJPGINASA-N |
| Molecular Weight |
412.570 g/mol |
| SMILES |
CCCCCCCOC(C1=C(C(OCC23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)C=CC=C1)=O |
