| SpectraBase Compound ID | AfrSqfSSYby |
|---|---|
| InChI | InChI=1S/C17H29NO2/c1-15-12-13-16(14-18)10-8-6-4-2-3-5-7-9-11-17(19)20-15/h15-16H,2-13H2,1H3 |
| InChIKey | DOQBZKNPBLCNBQ-UHFFFAOYSA-N |
| Mol Weight | 279.42 g/mol |
| Molecular Formula | C17H29NO2 |
| Exact Mass | 279.219829 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C42I0ruqBJb |
|---|---|
| Name | Oxacyclohexadecane-5-carbonitrile, 2-methyl-16-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.219829176 u |
| Formula | C17H29NO2 |
| InChI | InChI=1S/C17H29NO2/c1-15-12-13-16(14-18)10-8-6-4-2-3-5-7-9-11-17(19)20-15/h15-16H,2-13H2,1H3 |
| InChIKey | DOQBZKNPBLCNBQ-UHFFFAOYSA-N |
| SMILES | C(#N)C1CCC(OC(=O)CCCCCCCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923019 |