| SpectraBase Compound ID | 9JGrW6iQ8tz |
|---|---|
| InChI | InChI=1S/C16H24BrNO/c1-3-5-6-7-10-13-18(4-2)16(19)14-11-8-9-12-15(14)17/h8-9,11-12H,3-7,10,13H2,1-2H3 |
| InChIKey | QVGAFIRADYBEED-UHFFFAOYSA-N |
| Mol Weight | 326.28 g/mol |
| Molecular Formula | C16H24BrNO |
| Exact Mass | 325.104127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MACDsnaflt |
|---|---|
| Name | Benzamide, 2-bromo-N-ethyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.104127396 u |
| Formula | C16H24BrNO |
| InChI | InChI=1S/C16H24BrNO/c1-3-5-6-7-10-13-18(4-2)16(19)14-11-8-9-12-15(14)17/h8-9,11-12H,3-7,10,13H2,1-2H3 |
| InChIKey | QVGAFIRADYBEED-UHFFFAOYSA-N |
| Molecular Weight | 326.278 g/mol |
| SMILES | C1=C(C(=CC=C1)C(N(CC)CCCCCCC)=O)Br |