| SpectraBase Spectrum ID |
EfMc5GMZroK |
| Name |
5-[(E)-(2-(3-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-2-methoxyphenyl 2-methylpropanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.087350379 u |
| Formula |
C21H18ClNO5 |
| InChI |
InChI=1S/C21H18ClNO5/c1-12(2)20(24)27-18-10-13(7-8-17(18)26-3)9-16-21(25)28-19(23-16)14-5-4-6-15(22)11-14/h4-12H,1-3H3/b16-9+ |
| InChIKey |
PDSQNNWZDQSUCI-CXUHLZMHSA-N |
| Molecular Weight |
399.830 g/mol |
| SMILES |
COC1=CC=C(\C=C/2N=C(OC2=O)C=2C=C(Cl)C=CC2)C=C1OC(=O)C(C)C |
![5-[(E)-(2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-2-methoxyphenyl 2-methylpropanoate](/api/spectrum/EfMc5GMZroK/structure.png?h=300&w=458 "5-[(E)-(2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-2-methoxyphenyl 2-methylpropanoate")
