amino-](/api/spectrum/4vB9OFV2xzk/structure.png?h=300&w=458 "Acetic acid, 2-[3-(4-bromophenyl)-3-oxopropyl](methyl)amino-")
| SpectraBase Compound ID | GlLBW7MNqIr |
|---|---|
| InChI | InChI=1S/C12H14BrNO3/c1-14(8-12(16)17)7-6-11(15)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,16,17) |
| InChIKey | BLGTZFFBZAVEEA-UHFFFAOYSA-N |
| Mol Weight | 300.15 g/mol |
| Molecular Formula | C12H14BrNO3 |
| Exact Mass | 299.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vB9OFV2xzk |
|---|---|
| Name | Acetic acid, 2-[3-(4-bromophenyl)-3-oxopropyl](methyl)amino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.015706312 u |
| Formula | C12H14BrNO3 |
| InChI | InChI=1S/C12H14BrNO3/c1-14(8-12(16)17)7-6-11(15)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,16,17) |
| InChIKey | BLGTZFFBZAVEEA-UHFFFAOYSA-N |
| Molecular Weight | 300.152 g/mol |
| SMILES | C(CCN(CC(=O)O)C)(C1=CC=C(C=C1)Br)=O |