| SpectraBase Compound ID | FgXOtgwvfW9 |
|---|---|
| InChI | InChI=1S/C16H20N2O2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8H2,1-4H3 |
| InChIKey | RSTPHKRGPMBLJJ-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 | 40mnmFrFQCy |
|---|---|
| Name | 2-(3,4-Dimethoxyphenyl)-2-isopropylpentanedinitrile |
| 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/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8H2,1-4H3 |
| InChIKey | RSTPHKRGPMBLJJ-UHFFFAOYSA-N |
| Molecular Weight | 272.348 g/mol |
| SMILES | C1(=C(C=C(C=C1)C(CCC#N)(C(C)C)C#N)OC)OC |