SpectraBase Compound ID | 5wPEL2c2FZ5 |
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InChI | InChI=1S/C10H12ClNO2/c1-6-4-8(11)5-9(10(6)14-3)12-7(2)13/h4-5H,1-3H3,(H,12,13) |
InChIKey | BVIDTUMGLVWBLI-UHFFFAOYSA-N |
Mol Weight | 213.66 g/mol |
Molecular Formula | C10H12ClNO2 |
Exact Mass | 213.055656 g/mol |
SpectraBase Spectrum ID | 6q6tsXhjuuE |
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Name | 5'-Chloro-3'-methyl-o-acetanisidide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 213.055656328 u |
Formula | C10H12ClNO2 |
InChI | InChI=1S/C10H12ClNO2/c1-6-4-8(11)5-9(10(6)14-3)12-7(2)13/h4-5H,1-3H3,(H,12,13) |
InChIKey | BVIDTUMGLVWBLI-UHFFFAOYSA-N |
SMILES | N(C1=C(C(=CC(=C1)Cl)C)OC)C(C)=O |
Spectrum/Structure Validation Score (Raman) | 0.968922 |