![Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, (.+/-.)-](/api/spectrum/A3c2AkT6ly7/structure.png?h=300&w=458 "Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, (.+/-.)-")
| SpectraBase Compound ID | AaAYXGNbEPv |
|---|---|
| InChI | InChI=1S/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22) |
| InChIKey | RKDYKIHMFYAPMZ-UHFFFAOYSA-N |
| Mol Weight | 398.42 g/mol |
| Molecular Formula | C19H22N6O4 |
| Exact Mass | 398.170253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3c2AkT6ly7 |
|---|---|
| Name | Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, (.+/-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.170253208 u |
| Formula | C19H22N6O4 |
| InChI | InChI=1S/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22) |
| InChIKey | RKDYKIHMFYAPMZ-UHFFFAOYSA-N |
| Molecular Weight | 398.423 g/mol |
| SMILES | C(N)(NCCCC(C(NC1=CC=C(C=C1)N(=O)=O)=O)NC(C1=CC=CC=C1)=O)=N |