SpectraBase Spectrum ID |
KZIvndvGIKH |
Name |
Carbamic acid, N-(2-butyl)-N-pentyl-, 2,2,2-trichloroethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.071612050 u |
Formula |
C12H22Cl3NO2 |
InChI |
InChI=1S/C12H22Cl3NO2/c1-4-6-7-8-16(10(3)5-2)11(17)18-9-12(13,14)15/h10H,4-9H2,1-3H3 |
InChIKey |
RZRBTEQNIIULCQ-UHFFFAOYSA-N |
Molecular Weight |
318.672 g/mol |
SMILES |
C(N(CCCCC)C(CC)C)(=O)OCC(Cl)(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822652 |