| SpectraBase Compound ID | KzggEHyUjow |
|---|---|
| InChI | InChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8H2 |
| InChIKey | BSJKBXNHLQEFMG-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C12H15N |
| Exact Mass | 173.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hu1pMwPC5gY |
|---|---|
| Name | Benzenehexanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.120449487 u |
| Formula | C12H15N |
| InChI | InChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8H2 |
| InChIKey | BSJKBXNHLQEFMG-UHFFFAOYSA-N |
| Molecular Weight | 173.259 g/mol |
| SMILES | C(CC1=CC=CC=C1)CCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884653 |