SpectraBase Spectrum ID |
GeZIsG4PPnI |
Name |
Propanamide, N-(2-iodo-4-methylphenyl)-2,2-dimethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.027659138 u |
Formula |
C12H16INO |
InChI |
InChI=1S/C12H16INO/c1-8-5-6-10(9(13)7-8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15) |
InChIKey |
BGEQNDMAJXNQSN-UHFFFAOYSA-N |
Molecular Weight |
317.170 g/mol |
SMILES |
C(C(=O)NC=1C=CC(=CC1I)C)(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955062 |