![N,N'-bis[Cyanomethyl]terephthalamide](/api/spectrum/B64ipkOpqdV/structure.png?h=300&w=458 "N,N'-bis[Cyanomethyl]terephthalamide")
| SpectraBase Compound ID | 9WAcJXr6QWh |
|---|---|
| InChI | InChI=1S/C12H10N4O2/c13-5-7-15-11(17)9-1-2-10(4-3-9)12(18)16-8-6-14/h1-4H,7-8H2,(H,15,17)(H,16,18) |
| InChIKey | ZIWNPFGOLDMBOD-UHFFFAOYSA-N |
| Mol Weight | 242.24 g/mol |
| Molecular Formula | C12H10N4O2 |
| Exact Mass | 242.080376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B64ipkOpqdV |
|---|---|
| Name | N,N'-bis[Cyanomethyl]terephthalamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.080375576 u |
| Formula | C12H10N4O2 |
| InChI | InChI=1S/C12H10N4O2/c13-5-7-15-11(17)9-1-2-10(4-3-9)12(18)16-8-6-14/h1-4H,7-8H2,(H,15,17)(H,16,18) |
| InChIKey | ZIWNPFGOLDMBOD-UHFFFAOYSA-N |
| Molecular Weight | 242.238 g/mol |
| SMILES | C1=CC(=CC=C1C(NCC#N)=O)C(=O)NCC#N |