| SpectraBase Compound ID | KDSc51cOI0D |
|---|---|
| InChI | InChI=1S/C22H36BrNO/c1-4-6-7-8-9-10-11-12-13-17-24(19(3)5-2)22(25)20-15-14-16-21(23)18-20/h14-16,18-19H,4-13,17H2,1-3H3 |
| InChIKey | WVXUSZJXKWDCJU-UHFFFAOYSA-N |
| Mol Weight | 410.4 g/mol |
| Molecular Formula | C22H36BrNO |
| Exact Mass | 409.198028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FLAzkRJw76z |
|---|---|
| Name | Benzamide, 3-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/c1-4-6-7-8-9-10-11-12-13-17-24(19(3)5-2)22(25)20-15-14-16-21(23)18-20/h14-16,18-19H,4-13,17H2,1-3H3 |
| InChIKey | WVXUSZJXKWDCJU-UHFFFAOYSA-N |
| Molecular Weight | 410.440 g/mol |
| SMILES | C1=CC=C(C=C1C(N(CCCCCCCCCCC)C(CC)C)=O)Br |