| SpectraBase Compound ID | 9V3Oupqsf43 |
|---|---|
| InChI | InChI=1S/C14H17N5O2/c20-19(21)13-3-1-12(2-4-13)5-15-14-6-16-9-17(7-14)11-18(8-14)10-16/h1-5H,6-11H2/b15-5+ |
| InChIKey | IMFKAMKQDAZJEM-PJQLUOCWSA-N |
| Mol Weight | 287.32 g/mol |
| Molecular Formula | C14H17N5O2 |
| Exact Mass | 287.138225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6N1bV0voXxk |
|---|---|
| Name | 1,3,5-Triazaadamantane, 7-(4-nitrobenzlidenamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.138224805 u |
| Formula | C14H17N5O2 |
| InChI | InChI=1S/C14H17N5O2/c20-19(21)13-3-1-12(2-4-13)5-15-14-6-16-9-17(7-14)11-18(8-14)10-16/h1-5H,6-11H2/b15-5+ |
| InChIKey | IMFKAMKQDAZJEM-PJQLUOCWSA-N |
| Molecular Weight | 287.323 g/mol |
| SMILES | C12(CN3CN(C2)CN(C1)C3)\N=C\C1=CC=C(C=C1)N(=O)=O |