| SpectraBase Spectrum ID |
AkWvYzMgdbS |
| Name |
Phthalic acid, 1-adamantylmethyl isohexyl 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/c1-17(2)6-5-9-28-23(26)21-7-3-4-8-22(21)24(27)29-16-25-13-18-10-19(14-25)12-20(11-18)15-25/h3-4,7-8,17-20H,5-6,9-16H2,1-2H3/t18-,19+,20-,25- |
| InChIKey |
GAMQTLRFUUWTQV-UWIHHVNISA-N |
| Molecular Weight |
398.543 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)(=O)OCCCC(C)C |
