SpectraBase Spectrum ID |
APoTNsZVp9D |
Name |
1-Cyclohexyl-2-benzoyl-aziridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.146664235 u |
Formula |
C15H19NO |
InChI |
InChI=1S/C15H19NO/c17-15(12-7-3-1-4-8-12)14-11-16(14)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2 |
InChIKey |
ANQDGDBNBRCBCY-UHFFFAOYSA-N |
Molecular Weight |
229.323 g/mol |
SMILES |
C(=O)(C1CN1C1CCCCC1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949511 |