| SpectraBase Compound ID | L98Vc9yfp70 |
|---|---|
| InChI | InChI=1S/C17H11NO3/c18-10-14(17(19)13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)21-11-20-15/h1-9H,11H2 |
| InChIKey | FXLUHVPJUVHQOR-UHFFFAOYSA-N |
| Mol Weight | 277.28 g/mol |
| Molecular Formula | C17H11NO3 |
| Exact Mass | 277.073893 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | j3znc5F9Ix |
|---|---|
| Name | alpha-Benzoyl-3,4-(methylenedioxy)cinnamonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.073893215 u |
| Formula | C17H11NO3 |
| InChI | InChI=1S/C17H11NO3/c18-10-14(17(19)13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)21-11-20-15/h1-9H,11H2 |
| InChIKey | FXLUHVPJUVHQOR-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=C2OCOC12)C=C(C(C=1C=CC=CC1)=O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.966153 |