| SpectraBase Compound ID | 5B0XrLisynn |
|---|---|
| InChI | InChI=1S/C22H36BrNO/c1-4-6-7-8-9-10-11-12-13-18-24(19(3)5-2)22(25)20-14-16-21(23)17-15-20/h14-17,19H,4-13,18H2,1-3H3 |
| InChIKey | VOIDZYCXVUOPLI-UHFFFAOYSA-N |
| Mol Weight | 410.4 g/mol |
| Molecular Formula | C22H36BrNO |
| Exact Mass | 409.198028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6KsPfCXZmj |
|---|---|
| Name | Benzamide, 4-bromo-N-(2-butyl)-N-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.198027782 u |
| Formula | C22H36BrNO |
| InChI | InChI=1S/C22H36BrNO/c1-4-6-7-8-9-10-11-12-13-18-24(19(3)5-2)22(25)20-14-16-21(23)17-15-20/h14-17,19H,4-13,18H2,1-3H3 |
| InChIKey | VOIDZYCXVUOPLI-UHFFFAOYSA-N |
| Molecular Weight | 410.440 g/mol |
| SMILES | C(=O)(N(CCCCCCCCCCC)C(CC)C)C=1C=CC(=CC1)Br |