SpectraBase Spectrum ID |
GbICo2N1QZl |
Name |
Propionamide, 2-iodo-N-(2-pentyl)-N-isobutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
325.090259396 u |
Formula |
C12H24INO |
InChI |
InChI=1S/C12H24INO/c1-6-7-10(4)14(8-9(2)3)12(15)11(5)13/h9-11H,6-8H2,1-5H3 |
InChIKey |
WQZXXDCUBBBHMD-UHFFFAOYSA-N |
Molecular Weight |
325.234 g/mol |
SMILES |
CCCC(N(C(=O)C(C)I)CC(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926921 |