SpectraBase Spectrum ID |
D4WdZQx7KOt |
Name |
2-Hexyl-1-[(1R)-1-phenylethyl]aziridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.198699809 u |
Formula |
C16H25N |
InChI |
InChI=1S/C16H25N/c1-3-4-5-9-12-16-13-17(16)14(2)15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3/t14-,16?,17?/m1/s1 |
InChIKey |
HLFMGUJUCWCOEI-ODIFPOPNSA-N |
Molecular Weight |
231.383 g/mol |
SMILES |
C1N(C1CCCCCC)[C@@](C1=CC=CC=C1)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801084 |