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3-chloro-7-hydroxy-4-methylcoumarin, O-ester with O,O-diethylphosphorothioate

View entire compound with spectra: 4 NMR, 4 FTIR, and 7 MS (GC)

3-chloro-7-hydroxy-4-methylcoumarin, O-ester with O,O-diethylphosphorothioate
SpectraBase Compound ID 1FaS05pxLvY
InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey BXNANOICGRISHX-UHFFFAOYSA-N
Mol Weight 362.76 g/mol
Molecular Formula C14H16ClO5PS
Exact Mass 362.014459 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AcCR0kKsD23
Name Coumaphos
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number N11507
CAS Registry Number 56-72-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClO5PS
InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey BXNANOICGRISHX-UHFFFAOYSA-N
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Asuntol Coumafos
Wiley ID SIAL_13CNMR_012430