| SpectraBase Compound ID | LX4hORhybNT |
|---|---|
| InChI | InChI=1S/C18H17NO/c1-3-14-4-8-16(9-5-14)17(13-19)12-15-6-10-18(20-2)11-7-15/h4-12H,3H2,1-2H3 |
| InChIKey | QJGYBOALWVJCPQ-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C18H17NO |
| Exact Mass | 263.131014 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Iv1k39fTNEW |
|---|---|
| Name | 2-(p-Ethylphenyl)-3-(p-methoxyphenyl)acrylonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.131014170 u |
| Formula | C18H17NO |
| InChI | InChI=1S/C18H17NO/c1-3-14-4-8-16(9-5-14)17(13-19)12-15-6-10-18(20-2)11-7-15/h4-12H,3H2,1-2H3 |
| InChIKey | QJGYBOALWVJCPQ-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=C(C1)OC)C=C(C=1C=CC(=CC1)CC)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.991006 |