| SpectraBase Spectrum ID |
58VaHnrwuWp |
| Name |
Cyclohexanone, 2,3-didehydro-2-butyl-3-[4-[N-acetyl-N-methylamino]butyl |
| 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/c1-4-5-11-16-15(10-8-12-17(16)20)9-6-7-13-18(3)14(2)19/h4-13H2,1-3H3 |
| InChIKey |
BWQWUPRWUFHKCC-UHFFFAOYSA-N |
| SMILES |
C(N(C(=O)C)C)CCCC=1CCCC(C1CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952828 |
![Cyclohexanone, 2,3-didehydro-2-butyl-3-[4-[N-acetyl-N-methylamino]butyl](/api/spectrum/58VaHnrwuWp/structure.png?h=300&w=458 "Cyclohexanone, 2,3-didehydro-2-butyl-3-[4-[N-acetyl-N-methylamino]butyl")
