| SpectraBase Compound ID | 6Rnq5CtmupY |
|---|---|
| InChI | InChI=1S/C16H16BrNO/c17-14-9-11-15(12-10-14)18-16(19)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19) |
| InChIKey | PFYALFMAGZUDDX-UHFFFAOYSA-N |
| Mol Weight | 318.21 g/mol |
| Molecular Formula | C16H16BrNO |
| Exact Mass | 317.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aQoWoKsC0A |
|---|---|
| Name | 4'-Bromo-4-phenylbutyranilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.041527138 u |
| Formula | C16H16BrNO |
| InChI | InChI=1S/C16H16BrNO/c17-14-9-11-15(12-10-14)18-16(19)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19) |
| InChIKey | PFYALFMAGZUDDX-UHFFFAOYSA-N |
| Molecular Weight | 318.214 g/mol |
| SMILES | C(NC1=CC=C(C=C1)Br)(=O)CCCC1=CC=CC=C1 |