SpectraBase Spectrum ID |
2g2KanjpHbK |
Name |
Hexanenitrile, 3-chloro-2-[(1-methylethyl)imino]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
186.092376191 u |
Formula |
C9H15ClN2 |
InChI |
InChI=1S/C9H15ClN2/c1-4-5-8(10)9(6-11)12-7(2)3/h7-8H,4-5H2,1-3H3/b12-9- |
InChIKey |
UOHWWJWTHYPDCM-XFXZXTDPSA-N |
Molecular Weight |
186.686 g/mol |
SMILES |
C(\N=C\(C#N)C(Cl)CCC)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852656 |