| SpectraBase Compound ID | C6PX0WjKh3j |
|---|---|
| InChI | InChI=1S/C10H10N2O2/c11-7-6-10(8-12(13)14)9-4-2-1-3-5-9/h1-5,10H,6,8H2 |
| InChIKey | WSSZMVMECQDKFJ-UHFFFAOYSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C10H10N2O2 |
| Exact Mass | 190.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9DehKwlyF1b |
|---|---|
| Name | 4-Nitro-3-phenyl-butyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.074227568 u |
| Formula | C10H10N2O2 |
| InChI | InChI=1S/C10H10N2O2/c11-7-6-10(8-12(13)14)9-4-2-1-3-5-9/h1-5,10H,6,8H2 |
| InChIKey | WSSZMVMECQDKFJ-UHFFFAOYSA-N |
| Molecular Weight | 190.202 g/mol |
| SMILES | C(CC(CN(=O)=O)C=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908997 |