| SpectraBase Compound ID | 3StgsC5r3pB |
|---|---|
| InChI | InChI=1S/C22H36BrNO/c1-4-6-7-8-9-10-11-14-18-24(19(3)15-5-2)22(25)20-16-12-13-17-21(20)23/h12-13,16-17,19H,4-11,14-15,18H2,1-3H3 |
| InChIKey | UXYOVPVPJITGCE-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 | soBDiNwaKP |
|---|---|
| Name | Benzamide, 2-bromo-N-(2-pentyl)-N-decyl- |
| 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/c1-4-6-7-8-9-10-11-14-18-24(19(3)15-5-2)22(25)20-16-12-13-17-21(20)23/h12-13,16-17,19H,4-11,14-15,18H2,1-3H3 |
| InChIKey | UXYOVPVPJITGCE-UHFFFAOYSA-N |
| Molecular Weight | 410.440 g/mol |
| SMILES | C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCCCCCCCC |