| SpectraBase Spectrum ID |
IChQh14OrNA |
| Name |
4-(3-amino-2,4-dicyano-5-methyl-phenyl)benzoic acid methyl ester |
| Alternate Name(s) |
methyl 4-(3-amino-2,4-dicyano-5-methyl-phenyl)benzoate
methyl 4-(3-azanyl-2,4-dicyano-5-methyl-phenyl)benzoate
4-(3-amino-2,4-dicyano-5-methylphenyl)benzoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H13N3O2 |
| InChI |
InChI=1S/C17H13N3O2/c1-10-7-13(15(9-19)16(20)14(10)8-18)11-3-5-12(6-4-11)17(21)22-2/h3-7H,20H2,1-2H3 |
| InChIKey |
NOYHJGXCIFSDPK-UHFFFAOYSA-N |
| Molecular Weight |
291.310 g/mol |
| SMILES |
Nc1c(c(cc(c1C#N)C)-c1ccc(cc1)C(=O)OC)C#N |
| SPLASH |
splash10-03dl-0090000000-e0575a3d73482f980590 |
| Source of Spectrum |
F-70-2869-7 |
| Wiley ID |
1596611 |
