SpectraBase Compound ID | KxBGvOSrIml |
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InChI | InChI=1S/C10H12ClNO/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3 |
InChIKey | IZCPIOVDJCYPIH-UHFFFAOYSA-N |
Mol Weight | 197.66 g/mol |
Molecular Formula | C10H12ClNO |
Exact Mass | 197.060742 g/mol |
SpectraBase Spectrum ID | Cb0q3HAPn2Z |
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Name | 2-(4-Chlorophenyl)-N,N-dimethylacetamide |
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/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3 |
InChIKey | IZCPIOVDJCYPIH-UHFFFAOYSA-N |
Molecular Weight | 197.665 g/mol |
SMILES | C1=C(C=CC(=C1)CC(N(C)C)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907604 |