| SpectraBase Spectrum ID |
K19Zs1isSia |
| Name |
Propionic acid, 3-[(adamantane-1-carbonyl)amino]-3-(4-ethoxyphenyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.240958543 u |
| Formula |
C24H33NO4 |
| InChI |
InChI=1S/C24H33NO4/c1-3-28-20-7-5-19(6-8-20)21(12-22(26)29-4-2)25-23(27)24-13-16-9-17(14-24)11-18(10-16)15-24/h5-8,16-18,21H,3-4,9-15H2,1-2H3,(H,25,27)/t16-,17+,18-,21?,24- |
| InChIKey |
QDMDCARSDKGKSN-PMXPDCCXSA-N |
| Molecular Weight |
399.531 g/mol |
| SMILES |
C1=CC(=CC=C1C(CC(OCC)=O)NC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])OCC |
![Propionic acid, 3-[(adamantane-1-carbonyl)amino]-3-(4-ethoxyphenyl)-, ethyl ester](/api/spectrum/K19Zs1isSia/structure.png?h=300&w=458 "Propionic acid, 3-[(adamantane-1-carbonyl)amino]-3-(4-ethoxyphenyl)-, ethyl ester")
