SpectraBase Spectrum ID |
GQ00vCiGLBS |
Name |
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-isobutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
309.126234447 u |
Formula |
C14H25Cl2NO2 |
InChI |
InChI=1S/C14H25Cl2NO2/c1-12(2)11-17(13(18)7-3-5-9-15)14(19)8-4-6-10-16/h12H,3-11H2,1-2H3 |
InChIKey |
RETMFOIPBFYLHW-UHFFFAOYSA-N |
Molecular Weight |
310.265 g/mol |
SMILES |
C(N(CC(C)C)C(=O)CCCCCl)(=O)CCCCCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809136 |