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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2N5BoL9KzJk
Name 2-Nitrobenzenesulfonyl chloride
Source of Sample Supelco
Catalog Number N11507
CAS Registry Number 56-72-4
Classification Aromatic sulfur-oxygen compounds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4ClNO4S
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
Purity 97%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_10400