| SpectraBase Spectrum ID |
CREvhldKOVG |
| Name |
1-(2'-Formylpropyl)-2-oxocyclododecan-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.204179111 u |
| Formula |
C17H27NO2 |
| InChI |
InChI=1S/C17H27NO2/c1-15(13-19)12-17(14-18)11-9-7-5-3-2-4-6-8-10-16(17)20/h13,15H,2-12H2,1H3 |
| InChIKey |
VKPIGIIKIASOLG-UHFFFAOYSA-N |
| Molecular Weight |
277.408 g/mol |
| SMILES |
C1(C#N)(C(=O)CCCCCCCCCC1)CC(C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847296 |
