| SpectraBase Compound ID | GbW3NXWeRXN |
|---|---|
| InChI | InChI=1S/C10H15N/c1-9(2)6-7-10(3)5-4-8-11/h5-6H,4,7H2,1-3H3/b10-5+ |
| InChIKey | IHHOXKRYHULVOS-BJMVGYQFSA-N |
| Mol Weight | 149.24 g/mol |
| Molecular Formula | C10H15N |
| Exact Mass | 149.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Nt7JLdr70u |
|---|---|
| Name | Neryl nitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.120449487 u |
| Formula | C10H15N |
| InChI | InChI=1S/C10H15N/c1-9(2)6-7-10(3)5-4-8-11/h5-6H,4,7H2,1-3H3/b10-5+ |
| InChIKey | IHHOXKRYHULVOS-BJMVGYQFSA-N |
| Molecular Weight | 149.237 g/mol |
| SMILES | C(\C(=C\CC#N)C)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89878 |