| SpectraBase Compound ID | 6gp4o4ypbAl |
|---|---|
| InChI | InChI=1S/C13H18N2O3/c1-4-5-10(2)14(3)13(16)11-6-8-12(9-7-11)15(17)18/h6-10H,4-5H2,1-3H3 |
| InChIKey | GMJFCPWZAHAJJV-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C13H18N2O3 |
| Exact Mass | 250.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lR2b1KkRry |
|---|---|
| Name | Benzamide, 4-nitro-N-(2-pentyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.131742445 u |
| Formula | C13H18N2O3 |
| InChI | InChI=1S/C13H18N2O3/c1-4-5-10(2)14(3)13(16)11-6-8-12(9-7-11)15(17)18/h6-10H,4-5H2,1-3H3 |
| InChIKey | GMJFCPWZAHAJJV-UHFFFAOYSA-N |
| Molecular Weight | 250.298 g/mol |
| SMILES | CN(C(CCC)C)C(C1=CC=C(C=C1)N(=O)=O)=O |