| SpectraBase Compound ID | 9b0Ule43CTq |
|---|---|
| InChI | InChI=1S/C18H17NO3/c1-2-22-18(21)16(8-5-11-19)17(20)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,16H,2,5,8H2,1H3 |
| InChIKey | YIKVRIWJTQKIBW-UHFFFAOYSA-N |
| Mol Weight | 295.34 g/mol |
| Molecular Formula | C18H17NO3 |
| Exact Mass | 295.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Npo0WUIVTC |
|---|---|
| Name | Ethyl 2-(2-naphthoyl)-4-cyanobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.120843408 u |
| Formula | C18H17NO3 |
| InChI | InChI=1S/C18H17NO3/c1-2-22-18(21)16(8-5-11-19)17(20)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,16H,2,5,8H2,1H3 |
| InChIKey | YIKVRIWJTQKIBW-UHFFFAOYSA-N |
| SMILES | C1=C2C(=CC=C1C(=O)C(C(=O)OCC)CCC#N)C=CC=C2 |