SpectraBase Compound ID | 7GoKj12RxeK |
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InChI | InChI=1S/C11H13ClN2O/c1-3-7-13-11(15)14-10-8(2)5-4-6-9(10)12/h3-6H,1,7H2,2H3,(H2,13,14,15) |
InChIKey | ADFITOMCOHLXBR-UHFFFAOYSA-N |
Mol Weight | 224.69 g/mol |
Molecular Formula | C11H13ClN2O |
Exact Mass | 224.071641 g/mol |
SpectraBase Spectrum ID | 6Y8IP4BrTgo |
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Name | 1-Allyl-3-(6-chloro-o-tolyl)urea |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 224.071640746 u |
Formula | C11H13ClN2O |
InChI | InChI=1S/C11H13ClN2O/c1-3-7-13-11(15)14-10-8(2)5-4-6-9(10)12/h3-6H,1,7H2,2H3,(H2,13,14,15) |
InChIKey | ADFITOMCOHLXBR-UHFFFAOYSA-N |
SMILES | N(C1=C(C=CC=C1Cl)C)C(NCC=C)=O |
Spectrum/Structure Validation Score (Raman) | 0.947188 |