| SpectraBase Compound ID | 87it2rxMUj6 |
|---|---|
| InChI | InChI=1S/C13H14N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h3,7-8,15H,4,6H2,1-2H3/b11-3- |
| InChIKey | KHZAKBHKVKPSDN-JYOAFUTRSA-N |
| Mol Weight | 230.27 g/mol |
| Molecular Formula | C13H14N2O2 |
| Exact Mass | 230.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0RaKhZ2MTN |
|---|---|
| Name | Acetonitrile, (3,4-dihydro-6,7-dimethoxy-1(2H)-isoquinolinylidene)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.105527697 u |
| Formula | C13H14N2O2 |
| InChI | InChI=1S/C13H14N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h3,7-8,15H,4,6H2,1-2H3/b11-3- |
| InChIKey | KHZAKBHKVKPSDN-JYOAFUTRSA-N |
| Molecular Weight | 230.267 g/mol |
| SMILES | N1\C(C=2C=C(C(=CC2CC1)OC)OC)=C/C#N |