| SpectraBase Compound ID | 1M0x44pDPVy |
|---|---|
| InChI | InChI=1S/C25H42N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26(4-2)25(28)23-18-20-24(21-19-23)27(29)30/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | DVMRDQILQZUAPQ-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H42N2O3 |
| Exact Mass | 418.319543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYQcW7y9Agt |
|---|---|
| Name | Benzamide, 4-nitro-N-ethyl-N-hexadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.319543217 u |
| Formula | C25H42N2O3 |
| InChI | InChI=1S/C25H42N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26(4-2)25(28)23-18-20-24(21-19-23)27(29)30/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | DVMRDQILQZUAPQ-UHFFFAOYSA-N |
| Molecular Weight | 418.622 g/mol |
| SMILES | C1=CC(=CC=C1C(N(CC)CCCCCCCCCCCCCCCC)=O)N(=O)=O |