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3-bromo-7-hydroxy-4-methyl-8-(2-mercaptopropionyl)coumarin, 8(1-pyrrolidinecarbodithioate)
SpectraBase Compound ID J5GMDvmFjoh
InChI InChI=1S/C18H18BrNO4S2/c1-9-11-5-6-12(21)13(16(11)24-17(23)14(9)19)15(22)10(2)26-18(25)20-7-3-4-8-20/h5-6,10,21H,3-4,7-8H2,1-2H3
InChIKey VNVJKNMDNWOMSC-UHFFFAOYSA-N
Mol Weight 456.37 g/mol
Molecular Formula C18H18BrNO4S2
Exact Mass 454.986063 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FwwA6yU26gQ
Name 3-BROMO-7-HYDROXY-4-METHYL-8-(2-MERCAPTOPROPIONYL)COUMARIN, 8-(1-PYRROLIDINECARBODITHIOATE)
Source of Sample A. CASCAVAL, POLYTECHNIC INSTITUTE OF IASSY, IASI, ROMANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrNO4S2
InChI InChI=1S/C18H18BrNO4S2/c1-9-11-5-6-12(21)13(16(11)24-17(23)14(9)19)15(22)10(2)26-18(25)20-7-3-4-8-20/h5-6,10,21H,3-4,7-8H2,1-2H3
InChIKey VNVJKNMDNWOMSC-UHFFFAOYSA-N
Melting Point 188-190C
Molecular Weight 456.375000
Synonyms COUMARIN, 3-BROMO-7-HYDROXY- 4-METHYL-8-/2-MERCAPTOPROPIONYL/-, 8-/1-PYRROLIDINECARBODITHIOATE/ COUMARIN, 3-BROMO-7-HYDROXY- 4-METHYL-8-/2-MERCAPTOPROPIONYL/-, 8-/1-PYRROLIDINECARBODITHIOATE/
Technique KBr WAFER