| SpectraBase Spectrum ID |
6AUUOV6LO2U |
| Name |
N-but-3-Enyl-2-keto-N,4,4-trimethyl-cyclopentanecarboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.157228918 u |
| Formula |
C13H21NO2 |
| InChI |
InChI=1S/C13H21NO2/c1-5-6-7-14(4)12(16)10-8-13(2,3)9-11(10)15/h5,10H,1,6-9H2,2-4H3 |
| InChIKey |
OQKGUXBYIGEVRH-UHFFFAOYSA-N |
| Molecular Weight |
223.316 g/mol |
| SMILES |
C1(C(CC(C1)(C)C)=O)C(=O)N(C)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951375 |
