| SpectraBase Spectrum ID |
K3OfKhKVEPX |
| Name |
Isophthalic 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)5-4-8-28-23(26)21-6-3-7-22(12-21)24(27)29-16-25-13-18-9-19(14-25)11-20(10-18)15-25/h3,6-7,12,17-20H,4-5,8-11,13-16H2,1-2H3/t18-,19+,20-,25- |
| InChIKey |
QYQHZYYLENRCTN-UWIHHVNISA-N |
| Molecular Weight |
398.543 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O |
