| SpectraBase Compound ID | laufRHKTXt |
|---|---|
| InChI | InChI=1S/C9H13NO/c1-8(2)7-9(11)5-3-4-6-10/h7H,3-5H2,1-2H3 |
| InChIKey | WQGDKIOSSYZGLA-UHFFFAOYSA-N |
| Mol Weight | 151.21 g/mol |
| Molecular Formula | C9H13NO |
| Exact Mass | 151.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8jappCYUsbI |
|---|---|
| Name | 7-Methyl-5-oxo-6-octenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.099714042 u |
| Formula | C9H13NO |
| InChI | InChI=1S/C9H13NO/c1-8(2)7-9(11)5-3-4-6-10/h7H,3-5H2,1-2H3 |
| InChIKey | WQGDKIOSSYZGLA-UHFFFAOYSA-N |
| Molecular Weight | 151.209 g/mol |
| SMILES | C(#N)CCCC(C=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946448 |