| SpectraBase Compound ID | 5R6j6Z8GSmI |
|---|---|
| InChI | InChI=1S/C16H20N2O2/c1-3-5-7-19-15-10-16(20-8-6-4-2)14(12-18)9-13(15)11-17/h9-10H,3-8H2,1-2H3 |
| InChIKey | UHAUDPTZTMWLIF-UHFFFAOYSA-N |
| Mol Weight | 272.35 g/mol |
| Molecular Formula | C16H20N2O2 |
| Exact Mass | 272.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IoXbwnXelfe |
|---|---|
| Name | 4,6-Dibutoxyisophthalonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.152477890 u |
| Formula | C16H20N2O2 |
| InChI | InChI=1S/C16H20N2O2/c1-3-5-7-19-15-10-16(20-8-6-4-2)14(12-18)9-13(15)11-17/h9-10H,3-8H2,1-2H3 |
| InChIKey | UHAUDPTZTMWLIF-UHFFFAOYSA-N |
| Molecular Weight | 272.348 g/mol |
| SMILES | C=1(C=C(C(=CC1C#N)C#N)OCCCC)OCCCC |