| SpectraBase Compound ID | KtmwXoQrNhB |
|---|---|
| InChI | InChI=1S/C15H14N4O5/c16-15(20)13(8-10-4-2-1-3-5-10)17-12-7-6-11(18(21)22)9-14(12)19(23)24/h1-7,9,13,17H,8H2,(H2,16,20) |
| InChIKey | KJWGOWILGLMYJU-UHFFFAOYSA-N |
| Mol Weight | 330.3 g/mol |
| Molecular Formula | C15H14N4O5 |
| Exact Mass | 330.09642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAN00UGevfQ |
|---|---|
| Name | L-alpha-(2,4-Dinitroaniline)hydrocinnamamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.096419562 u |
| Formula | C15H14N4O5 |
| InChI | InChI=1S/C15H14N4O5/c16-15(20)13(8-10-4-2-1-3-5-10)17-12-7-6-11(18(21)22)9-14(12)19(23)24/h1-7,9,13,17H,8H2,(H2,16,20) |
| InChIKey | KJWGOWILGLMYJU-UHFFFAOYSA-N |
| Molecular Weight | 330.300 g/mol |
| SMILES | N(C(CC=1C=CC=CC1)C(N)=O)C=1C=CC(=CC1N(=O)=O)N(=O)=O |