SpectraBase Compound ID | 8WF5xWgirYO |
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InChI | InChI=1S/C9H11NO/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11) |
InChIKey | OKZSWDDQUUZSRO-UHFFFAOYSA-N |
Mol Weight | 149.19 g/mol |
Molecular Formula | C9H11NO |
Exact Mass | 149.084064 g/mol |
SpectraBase Spectrum ID | KXek5iPSCF0 |
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Name | 2-m-Tolylacetamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 149.084063977 u |
Formula | C9H11NO |
InChI | InChI=1S/C9H11NO/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11) |
InChIKey | OKZSWDDQUUZSRO-UHFFFAOYSA-N |
Molecular Weight | 149.193 g/mol |
SMILES | C1(=CC=CC(=C1)CC(N)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859527 |