SpectraBase Spectrum ID |
FVhoRovnUYW |
Name |
2-Chloro-N-[1-(4-hydroxy-2,5-dimethylphenyl)-2-methylpropan-2-yl]acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.118256586 u |
Formula |
C14H20ClNO2 |
InChI |
InChI=1S/C14H20ClNO2/c1-9-6-12(17)10(2)5-11(9)7-14(3,4)16-13(18)8-15/h5-6,17H,7-8H2,1-4H3,(H,16,18) |
InChIKey |
RORLXXPUJHGDCK-UHFFFAOYSA-N |
SMILES |
C=1(C=C(C)C(=CC1C)O)CC(NC(=O)CCl)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836426 |