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Chlorpyrifos
SpectraBase Compound ID 3bEyKBfq08Z
InChI InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChIKey SBPBAQFWLVIOKP-UHFFFAOYSA-N
Mol Weight 350.58 g/mol
Molecular Formula C9H11Cl3NO3PS
Exact Mass 348.926284 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EXsxeqUiNVG
Name Chlorpyrifos
Source of Sample Cayman Chemical Company
Catalog Number 21412
Lot Number 0499073-1
CAS Registry Number 2921-88-2
Cell Type NMR tube
Compound Type Pure
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Formula C9H11Cl3NO3PS
IUPAC Name Phosphorothioic acid O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester
InChI InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChIKey SBPBAQFWLVIOKP-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 550 mW
Raman Laser Source Nd:YAG
SMILES c1c(c(nc(c1Cl)Cl)OP(OCC)(=S)OCC)Cl
Scans Performed 5952
Source of Spectrum Forensic Spectral Research
Technique FT-Raman