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3-bromo-7-hydroxy-8-(mercaptoacetyl)-4-methylcoumarin, 8-(4-morpholinecarbodithioate)

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

3-bromo-7-hydroxy-8-(mercaptoacetyl)-4-methylcoumarin, 8-(4-morpholinecarbodithioate)
SpectraBase Compound ID 5bpnNFiBLOj
InChI InChI=1S/C17H16BrNO5S2/c1-9-10-2-3-11(20)13(15(10)24-16(22)14(9)18)12(21)8-26-17(25)19-4-6-23-7-5-19/h2-3,20H,4-8H2,1H3
InChIKey MAYRDCOIXCNJKD-UHFFFAOYSA-N
Mol Weight 458.34 g/mol
Molecular Formula C17H16BrNO5S2
Exact Mass 456.965328 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GYLGSQetfWi
Name 3-BROMO-7-HYDROXY-8-(MERCAPTOACETYL)-4-METHYLCOUMARIN, 8-(4-MORPHOLINECARBODITHIOATE)
Source of Sample A. CASCAVAL, POLYTECHNIC INSTITUTE OF IASSY, IASI, ROMANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16BrNO5S2
InChI InChI=1S/C17H16BrNO5S2/c1-9-10-2-3-11(20)13(15(10)24-16(22)14(9)18)12(21)8-26-17(25)19-4-6-23-7-5-19/h2-3,20H,4-8H2,1H3
InChIKey MAYRDCOIXCNJKD-UHFFFAOYSA-N
Melting Point 203-204C
Molecular Weight 458.346985
Synonyms COUMARIN, 3-BROMO-7-HYDROXY- 8-/MERCAPTOACETYL/-4-METHYL-, 8-/4-MORPHOLINECARBODITHIOATE/
Technique KBr WAFER