SpectraBase Spectrum ID |
7F28hj8he2k |
Name |
Butyramide, 4-chloro-N-2-ethylhexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.154642096 u |
Formula |
C12H24ClNO |
InChI |
InChI=1S/C12H24ClNO/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13/h11H,3-10H2,1-2H3,(H,14,15) |
InChIKey |
OEPGTWXYVQAXOC-UHFFFAOYSA-N |
Molecular Weight |
233.783 g/mol |
SMILES |
C(CCCCl)(NCC(CCCC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976632 |