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1-[o-(2,4-Dichlorophenoxy)phenyl]-2-thiourea

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1-[o-(2,4-Dichlorophenoxy)phenyl]-2-thiourea
SpectraBase Compound ID AOhc6Nluf4T
InChI InChI=1S/C13H10Cl2N2OS/c14-8-5-6-11(9(15)7-8)18-12-4-2-1-3-10(12)17-13(16)19/h1-7H,(H3,16,17,19)
InChIKey WQYKNQKLNTYOBI-UHFFFAOYSA-N
Mol Weight 313.2 g/mol
Molecular Formula C13H10Cl2N2OS
Exact Mass 311.98909 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5kiM48abCvI
Name 1-[o-(2,4-Dichlorophenoxy)phenyl]-2-thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.989089523 u
Formula C13H10Cl2N2OS
InChI InChI=1S/C13H10Cl2N2OS/c14-8-5-6-11(9(15)7-8)18-12-4-2-1-3-10(12)17-13(16)19/h1-7H,(H3,16,17,19)
InChIKey WQYKNQKLNTYOBI-UHFFFAOYSA-N
Molecular Weight 313.202 g/mol
SMILES N(C=1C=CC=CC1OC1=CC=C(C=C1Cl)Cl)C(=S)N
Spectrum/Structure Validation Score (Raman) 0.920062