| SpectraBase Compound ID | AgdAY5QjiLS |
|---|---|
| InChI | InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)12(9-15)11-2-3-13-14(8-11)19-10-18-13/h2-3,8,12H,4-7,10H2,1H3 |
| InChIKey | QJNKDAPKWVOYBT-UHFFFAOYSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C14H17N3O2 |
| Exact Mass | 259.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbXrTGgLomg |
|---|---|
| Name | 2-(3,4-Dioxymethylenphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.132076797 u |
| Formula | C14H17N3O2 |
| InChI | InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)12(9-15)11-2-3-13-14(8-11)19-10-18-13/h2-3,8,12H,4-7,10H2,1H3 |
| InChIKey | QJNKDAPKWVOYBT-UHFFFAOYSA-N |
| Molecular Weight | 259.309 g/mol |
| SMILES | C(N1CCN(CC1)C)(C=1C=C2OCOC2=CC1)C#N |