| SpectraBase Spectrum ID |
LRcow8i0HA8 |
| Name |
Phthalic acid, 2-adamantyl isohexyl 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/c1-15(2)6-5-9-27-23(25)20-7-3-4-8-21(20)24(26)28-22-18-11-16-10-17(13-18)14-19(22)12-16/h3-4,7-8,15-19,22H,5-6,9-14H2,1-2H3/t16-,17+,18-,19+,22- |
| InChIKey |
QLDQLFJXWOVKDT-SNRWMIJCSA-N |
| Molecular Weight |
384.516 g/mol |
| SMILES |
CC(C)CCCOC(C1=CC=CC=C1C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)=O |
