| SpectraBase Spectrum ID |
FroXsws5jgO |
| Name |
Phthalic acid, 2-adamantyl cyclohexylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.230059506 u |
| Formula |
C25H32O4 |
| InChI |
InChI=1S/C25H32O4/c26-24(28-15-16-6-2-1-3-7-16)21-8-4-5-9-22(21)25(27)29-23-19-11-17-10-18(13-19)14-20(23)12-17/h4-5,8-9,16-20,23H,1-3,6-7,10-15H2/t17-,18+,19-,20+,23? |
| InChIKey |
JCNCGDBTVKBZHL-IBZNZOPNSA-N |
| Molecular Weight |
396.527 g/mol |
| SMILES |
C1CCC(CC1)COC(C1=C(C(OC2[C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])=O)C=CC=C1)=O |
