SpectraBase Compound ID | EkovEfKCzRt |
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InChI | InChI=1S/C10H12ClNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13) |
InChIKey | GBPHKLAKBDBGGE-UHFFFAOYSA-N |
Mol Weight | 197.66 g/mol |
Molecular Formula | C10H12ClNO |
Exact Mass | 197.060742 g/mol |
SpectraBase Spectrum ID | Do5DimCAAW4 |
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Name | Propanamide, N-(4-chlorophenyl)-2-methyl,; propionanilide, 4'-chloro-2-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 197.060741709 u |
Formula | C10H12ClNO |
InChI | InChI=1S/C10H12ClNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13) |
InChIKey | GBPHKLAKBDBGGE-UHFFFAOYSA-N |
SMILES | N(C1=CC=C(C=C1)Cl)C(C(C)C)=O |
Spectrum/Structure Validation Score (Raman) | 0.915879 |