| SpectraBase Compound ID | LiKdE4hhApU |
|---|---|
| InChI | InChI=1S/C22H36BrNO/c1-3-5-7-9-11-13-19-24(18-12-10-8-6-4-2)22(25)20-14-16-21(23)17-15-20/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | VYAVCDCQQZKTTJ-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 | 4IAhQQYkSkF |
|---|---|
| Name | Benzamide, N-heptyl-N-octyl-4-bromo- |
| 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/c1-3-5-7-9-11-13-19-24(18-12-10-8-6-4-2)22(25)20-14-16-21(23)17-15-20/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | VYAVCDCQQZKTTJ-UHFFFAOYSA-N |
| Molecular Weight | 410.440 g/mol |
| SMILES | C1(=CC=C(C=C1)C(N(CCCCCCC)CCCCCCCC)=O)Br |