| SpectraBase Compound ID | ALKBrPAjEgY |
|---|---|
| InChI | InChI=1S/C18H28N2O3/c1-4-7-8-15(6-3)14-19(13-5-2)18(21)16-9-11-17(12-10-16)20(22)23/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | JWQUGQISHCIVEN-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 | 9wB72J3Q6ze |
|---|---|
| Name | Benzamide, 4-nitro-N-propyl-N-(2-ethylhexyl)- |
| 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/c1-4-7-8-15(6-3)14-19(13-5-2)18(21)16-9-11-17(12-10-16)20(22)23/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | JWQUGQISHCIVEN-UHFFFAOYSA-N |
| Molecular Weight | 320.433 g/mol |
| SMILES | C(=O)(N(CCC)CC(CCCC)CC)C=1C=CC(=CC1)N(=O)=O |