| SpectraBase Spectrum ID |
EfcenuAjMfS |
| Name |
4-(3-amino-2,4-dicyano-5-phenyl-phenyl)benzoic acid methyl ester |
| Alternate Name(s) |
methyl 4-(3-amino-2,4-dicyano-5-phenyl-phenyl)benzoate
methyl 4-(3-azanyl-2,4-dicyano-5-phenyl-phenyl)benzoate
4-(3-amino-2,4-dicyano-5-phenylphenyl)benzoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H15N3O2 |
| InChI |
InChI=1S/C22H15N3O2/c1-27-22(26)16-9-7-15(8-10-16)18-11-17(14-5-3-2-4-6-14)19(12-23)21(25)20(18)13-24/h2-11H,25H2,1H3 |
| InChIKey |
KULNNEZLZUHBLB-UHFFFAOYSA-N |
| Molecular Weight |
353.381 g/mol |
| SMILES |
Nc1c(c(cc(c1C#N)-c1ccccc1)-c1ccc(cc1)C(=O)OC)C#N |
| SPLASH |
splash10-0pb9-9005000000-eefe85667222eebbd1f9 |
| Source of Spectrum |
F-70-2869-7 |
| Wiley ID |
1596612 |
