| SpectraBase Compound ID | I0inAPrFFtR |
|---|---|
| InChI | InChI=1S/C16H13NO3/c1-19-15-5-3-2-4-14(15)11-20-16(18)13-8-6-12(10-17)7-9-13/h2-9H,11H2,1H3 |
| InChIKey | ISIIYLDXWXPXOG-UHFFFAOYSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C16H13NO3 |
| Exact Mass | 267.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChibB0txuwf |
|---|---|
| Name | 2-Methoxybenzyl 4-cyanobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.089543280 u |
| Formula | C16H13NO3 |
| InChI | InChI=1S/C16H13NO3/c1-19-15-5-3-2-4-14(15)11-20-16(18)13-8-6-12(10-17)7-9-13/h2-9H,11H2,1H3 |
| InChIKey | ISIIYLDXWXPXOG-UHFFFAOYSA-N |
| Molecular Weight | 267.284 g/mol |
| SMILES | C=1(C(OCC2=CC=CC=C2OC)=O)C=CC(=CC1)C#N |