| SpectraBase Compound ID | NEgxUVkjuL |
|---|---|
| InChI | InChI=1S/C16H20N6O6/c1-4-18-15(25)11-10(26-7(2)23)12(27-8(3)24)16(28-11)22-6-21-9-13(17)19-5-20-14(9)22/h5-6,10-12,16H,4H2,1-3H3,(H,18,25)(H2,17,19,20) |
| InChIKey | OOWCXPUKERVNOX-UHFFFAOYSA-N |
| Mol Weight | 392.37 g/mol |
| Molecular Formula | C16H20N6O6 |
| Exact Mass | 392.144432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9TSei38MP3 |
|---|---|
| Name | Neca 2ac @P1411 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.144432382 u |
| Formula | C16H20N6O6 |
| InChI | InChI=1S/C16H20N6O6/c1-4-18-15(25)11-10(26-7(2)23)12(27-8(3)24)16(28-11)22-6-21-9-13(17)19-5-20-14(9)22/h5-6,10-12,16H,4H2,1-3H3,(H,18,25)(H2,17,19,20) |
| InChIKey | OOWCXPUKERVNOX-UHFFFAOYSA-N |
| Molecular Weight | 392.372 g/mol |
| SMILES | C1(OC(C(OC(=O)C)C1OC(C)=O)C(NCC)=O)N1C=NC2=C1N=CN=C2N |