SpectraBase Spectrum ID |
1NZlvrhN1jp |
Name |
Isobutyramide, N-(5-chloro-2-methoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.071306393 u |
Formula |
C11H14ClNO2 |
InChI |
InChI=1S/C11H14ClNO2/c1-7(2)11(14)13-9-6-8(12)4-5-10(9)15-3/h4-7H,1-3H3,(H,13,14) |
InChIKey |
PZCQMUMKJOTUOD-UHFFFAOYSA-N |
Molecular Weight |
227.691 g/mol |
SMILES |
C(C)(C)C(=O)NC=1C(OC)=CC=C(C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86296 |