| SpectraBase Compound ID | Etoql5ZBM7y |
|---|---|
| InChI | InChI=1S/C18H28N2O3/c1-4-6-8-9-15(3)19(14-7-5-2)18(21)16-10-12-17(13-11-16)20(22)23/h10-13,15H,4-9,14H2,1-3H3 |
| InChIKey | ICQFNEGMTLXCAP-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 | LGXiepqyj4w |
|---|---|
| Name | Benzamide, 4-nitro-N-butyl-N-(hept-2-yl)- |
| 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/c1-4-6-8-9-15(3)19(14-7-5-2)18(21)16-10-12-17(13-11-16)20(22)23/h10-13,15H,4-9,14H2,1-3H3 |
| InChIKey | ICQFNEGMTLXCAP-UHFFFAOYSA-N |
| Molecular Weight | 320.433 g/mol |
| SMILES | C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCCC)C(CCCCC)C |