| SpectraBase Compound ID | IFh8Xd7N8N1 |
|---|---|
| InChI | InChI=1S/C10H9NO/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-2,4-5,8H,3,6H2 |
| InChIKey | AIDHADWYAQFBSD-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KNGo4inTLxH |
|---|---|
| Name | 3-(2-Formylphenyl)propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.068413913 u |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-2,4-5,8H,3,6H2 |
| InChIKey | AIDHADWYAQFBSD-UHFFFAOYSA-N |
| Molecular Weight | 159.188 g/mol |
| SMILES | C(#N)CCC=1C(C=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931004 |