| SpectraBase Compound ID | 96dT2ki2fVZ |
|---|---|
| InChI | InChI=1S/C12H14N2O/c13-9-5-2-6-10-14-12(15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,10H2,(H,14,15) |
| InChIKey | WAKCNYLZNFBACB-UHFFFAOYSA-N |
| Mol Weight | 202.26 g/mol |
| Molecular Formula | C12H14N2O |
| Exact Mass | 202.110613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 92k9e7nmt0q |
|---|---|
| Name | N-(4-Cyanobutyl)benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.110613078 u |
| Formula | C12H14N2O |
| InChI | InChI=1S/C12H14N2O/c13-9-5-2-6-10-14-12(15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,10H2,(H,14,15) |
| InChIKey | WAKCNYLZNFBACB-UHFFFAOYSA-N |
| Molecular Weight | 202.257 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)NCCCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971036 |