| SpectraBase Compound ID | r1xBuDJWnx |
|---|---|
| InChI | InChI=1S/C18H28N2O3/c1-4-6-7-8-9-14-19(15(3)5-2)18(21)16-10-12-17(13-11-16)20(22)23/h10-13,15H,4-9,14H2,1-3H3 |
| InChIKey | ITVBBMOLEAPELD-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C18H28N2O3 |
| Exact Mass | 320.209993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4t8xpYrkoJI |
|---|---|
| Name | Benzamide, 4-nitro-N-(2-butyl)-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.209992767 u |
| Formula | C18H28N2O3 |
| InChI | InChI=1S/C18H28N2O3/c1-4-6-7-8-9-14-19(15(3)5-2)18(21)16-10-12-17(13-11-16)20(22)23/h10-13,15H,4-9,14H2,1-3H3 |
| InChIKey | ITVBBMOLEAPELD-UHFFFAOYSA-N |
| Molecular Weight | 320.433 g/mol |
| SMILES | C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCCCCCC)C(CC)C |