| SpectraBase Compound ID | GFTv2LvdHDN |
|---|---|
| InChI | InChI=1S/C20H32N2O3/c1-3-5-6-7-8-9-10-11-17-21(16-4-2)20(23)18-12-14-19(15-13-18)22(24)25/h12-15H,3-11,16-17H2,1-2H3 |
| InChIKey | YLCPGOCDFIFQEU-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C20H32N2O3 |
| Exact Mass | 348.241293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3buN5Ac0fba |
|---|---|
| Name | Benzamide, 4-nitro-N-propyl-N-decyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.241292895 u |
| Formula | C20H32N2O3 |
| InChI | InChI=1S/C20H32N2O3/c1-3-5-6-7-8-9-10-11-17-21(16-4-2)20(23)18-12-14-19(15-13-18)22(24)25/h12-15H,3-11,16-17H2,1-2H3 |
| InChIKey | YLCPGOCDFIFQEU-UHFFFAOYSA-N |
| Molecular Weight | 348.487 g/mol |
| SMILES | C(=O)(N(CCC)CCCCCCCCCC)C=1C=CC(=CC1)N(=O)=O |