| SpectraBase Spectrum ID |
1QLFFaxhevH |
| Name |
3,4-Dichloro-benzoic acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.048712399 u |
| Formula |
C23H16Cl2N2O4 |
| InChI |
InChI=1S/C23H16Cl2N2O4/c24-16-9-6-13(10-17(16)25)23(29)30-14-7-4-12(5-8-14)20-15(11-26)22(27)31-19-3-1-2-18(28)21(19)20/h4-10,20H,1-3,27H2 |
| InChIKey |
PHNLIPCKYBNAQP-UHFFFAOYSA-N |
| Molecular Weight |
455.297 g/mol |
| SMILES |
C1(=C(OC2=C(C1C1=CC=C(OC(C=3C=C(Cl)C(=CC3)Cl)=O)C=C1)C(=O)CCC2)N)C#N |
