SpectraBase Compound ID | E5OgjogBPHl |
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InChI | InChI=1S/C9H9Cl3N2O/c1-14(2)9(15)13-8-4-6(11)5(10)3-7(8)12/h3-4H,1-2H3,(H,13,15) |
InChIKey | FHQLBWPPPIPNPD-UHFFFAOYSA-N |
Mol Weight | 267.54 g/mol |
Molecular Formula | C9H9Cl3N2O |
Exact Mass | 265.978046 g/mol |
SpectraBase Spectrum ID | F4FAAasCkbC |
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Name | 1,1-Dimethyl-3-(2,4,5-trichlorophenyl)urea |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 265.978046017 u |
Formula | C9H9Cl3N2O |
InChI | InChI=1S/C9H9Cl3N2O/c1-14(2)9(15)13-8-4-6(11)5(10)3-7(8)12/h3-4H,1-2H3,(H,13,15) |
InChIKey | FHQLBWPPPIPNPD-UHFFFAOYSA-N |
SMILES | N(C1=CC(=C(C=C1Cl)Cl)Cl)C(N(C)C)=O |
Spectrum/Structure Validation Score (Raman) | 0.720648 |