| SpectraBase Compound ID | GafMs6jqfmR |
|---|---|
| InChI | InChI=1S/C22H36N2O3/c1-3-5-7-8-9-10-11-12-13-19-23(18-6-4-2)22(25)20-14-16-21(17-15-20)24(26)27/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | HOWUUOCVRYTIMB-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H36N2O3 |
| Exact Mass | 376.272593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9M3SN4RcYH |
|---|---|
| Name | Benzamide, 4-nitro-N-butyl-N-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.272593024 u |
| Formula | C22H36N2O3 |
| InChI | InChI=1S/C22H36N2O3/c1-3-5-7-8-9-10-11-12-13-19-23(18-6-4-2)22(25)20-14-16-21(17-15-20)24(26)27/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | HOWUUOCVRYTIMB-UHFFFAOYSA-N |
| Molecular Weight | 376.541 g/mol |
| SMILES | C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCCC)CCCCCCCCCCC |