| SpectraBase Compound ID | ACKClguu4bG |
|---|---|
| InChI | InChI=1S/C12H7NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H |
| InChIKey | RITADAJGEQPFIR-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C12H7NO |
| Exact Mass | 181.052764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gtg0YuCyLBV |
|---|---|
| Name | 1-Naphthoyl cyanide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.052763848 u |
| Formula | C12H7NO |
| InChI | InChI=1S/C12H7NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H |
| InChIKey | RITADAJGEQPFIR-UHFFFAOYSA-N |
| Molecular Weight | 181.194 g/mol |
| SMILES | C(#N)C(=O)C1=CC=CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854092 |