| SpectraBase Compound ID | Ie7ALGMzebU |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-2-3-4-9-13-12(15)10-5-7-11(8-6-10)14(16)17/h5-8H,2-4,9H2,1H3,(H,13,15) |
| InChIKey | BEPRYLWKWWVVQA-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BujPbWG3Oex |
|---|---|
| Name | Benzamide, 4-nitro-N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-2-3-4-9-13-12(15)10-5-7-11(8-6-10)14(16)17/h5-8H,2-4,9H2,1H3,(H,13,15) |
| InChIKey | BEPRYLWKWWVVQA-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)C(NCCCCC)=O |