| SpectraBase Compound ID | BVSaAAhnFhJ |
|---|---|
| InChI | InChI=1S/C17H29NO2/c1-15-12-16(13-18)10-8-6-4-2-3-5-7-9-11-17(19)20-14-15/h15-16H,2-12,14H2,1H3 |
| InChIKey | RRMSYCRJDWNPGY-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 | 6I2BPAfIOij |
|---|---|
| Name | 12-Cyano-14-methyl-15-pentadecanolide |
| 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/c1-15-12-16(13-18)10-8-6-4-2-3-5-7-9-11-17(19)20-14-15/h15-16H,2-12,14H2,1H3 |
| InChIKey | RRMSYCRJDWNPGY-UHFFFAOYSA-N |
| SMILES | C(#N)C1CC(COC(=O)CCCCCCCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974781 |