| SpectraBase Spectrum ID |
FL7hXrUw58S |
| Name |
Benzenebutanoic acid, .beta.-[[(3-bromo-4-methylphenyl)amino]carbonyl]-.alpha.,3,5-trimethyl- |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24BrNO3 |
| InChI |
InChI=1S/C21H24BrNO3/c1-12-7-13(2)9-16(8-12)10-18(15(4)21(25)26)20(24)23-17-6-5-14(3)19(22)11-17/h5-9,11,15,18H,10H2,1-4H3,(H,23,24)(H,25,26) |
| InChIKey |
PFRJJVCAIFFXBR-UHFFFAOYSA-N |
| Molecular Weight |
418.331 g/mol |
| SMILES |
N(c1ccc(c(c1)Br)C)C(C(C(C(O)=O)C)Cc1cc(cc(c1)C)C)=O |
| SPLASH |
splash10-000i-3901000000-46e7c7164349b813d108 |
| Source of Spectrum |
IY-1-4665-3 |
| Synonyms |
4-(3-bromo-4-methylanilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid
4-(3-bromo-4-methyl-anilino)-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxo-butanoic acid
4-[(3-bromanyl-4-methyl-phenyl)amino]-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-butanoic acid |
| Wiley ID |
1654636 |
![Benzenebutanoic acid, .beta.-[[(3-bromo-4-methylphenyl)amino]carbonyl]-.alpha.,3,5-trimethyl-](/api/spectrum/FL7hXrUw58S/structure.png?h=300&w=458 "Benzenebutanoic acid, .beta.-[[(3-bromo-4-methylphenyl)amino]carbonyl]-.alpha.,3,5-trimethyl-")
