![Benzenebutanoic acid, alpha-[(4-bromophenyl)amino]-gamma-oxo-](/api/spectrum/EW6XXR382uA/structure.png?h=300&w=458 "Benzenebutanoic acid, alpha-[(4-bromophenyl)amino]-gamma-oxo-")
| SpectraBase Compound ID | 8b4kyE48Lti |
|---|---|
| InChI | InChI=1S/C16H14BrNO3/c17-12-6-8-13(9-7-12)18-14(16(20)21)10-15(19)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,20,21) |
| InChIKey | XMGNQAJSAZVAPS-UHFFFAOYSA-N |
| Mol Weight | 348.2 g/mol |
| Molecular Formula | C16H14BrNO3 |
| Exact Mass | 347.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EW6XXR382uA |
|---|---|
| Name | Benzenebutanoic acid, alpha-[(4-bromophenyl)amino]-gamma-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.015706312 u |
| Formula | C16H14BrNO3 |
| InChI | InChI=1S/C16H14BrNO3/c17-12-6-8-13(9-7-12)18-14(16(20)21)10-15(19)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,20,21) |
| InChIKey | XMGNQAJSAZVAPS-UHFFFAOYSA-N |
| Molecular Weight | 348.196 g/mol |
| SMILES | OC(C(CC(=O)C=1C=CC=CC1)NC1=CC=C(C=C1)Br)=O |