| SpectraBase Compound ID | GOfsEep76V1 |
|---|---|
| InChI | InChI=1S/C17H34BrNO/c1-3-5-7-8-12-16-19(15-6-4-2)17(20)13-10-9-11-14-18/h3-16H2,1-2H3 |
| InChIKey | ZCSCMSOYXNNUNH-UHFFFAOYSA-N |
| Mol Weight | 348.4 g/mol |
| Molecular Formula | C17H34BrNO |
| Exact Mass | 347.182378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRYXLnO2ZtC |
|---|---|
| Name | Hexanamide, 6-bromo-N-butyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.182377718 u |
| Formula | C17H34BrNO |
| InChI | InChI=1S/C17H34BrNO/c1-3-5-7-8-12-16-19(15-6-4-2)17(20)13-10-9-11-14-18/h3-16H2,1-2H3 |
| InChIKey | ZCSCMSOYXNNUNH-UHFFFAOYSA-N |
| Molecular Weight | 348.369 g/mol |
| SMILES | C(=O)(N(CCCC)CCCCCCC)CCCCCBr |