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2-chloronicotinic acid, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

2-chloronicotinic acid, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl ester
SpectraBase Compound ID 9uPkCI6ujRj
InChI InChI=1S/C16H13BrClNO3S2/c1-21-12-8-9(16-23-5-6-24-16)7-11(17)13(12)22-15(20)10-3-2-4-19-14(10)18/h2-4,7-8,16H,5-6H2,1H3
InChIKey OECBMMQAAKKDIK-UHFFFAOYSA-N
Mol Weight 446.76 g/mol
Molecular Formula C16H13BrClNO3S2
Exact Mass 444.920876 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5ShV1xhm1M6
Name 2-CHLORONICOTINIC ACID, 2-BROMO-4-(1,3-DITHIOLAN-2-YL)-6-METHOXYPHENYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrClNO3S2
InChI InChI=1S/C16H13BrClNO3S2/c1-21-12-8-9(16-23-5-6-24-16)7-11(17)13(12)22-15(20)10-3-2-4-19-14(10)18/h2-4,7-8,16H,5-6H2,1H3
InChIKey OECBMMQAAKKDIK-UHFFFAOYSA-N
Melting Point 152-154C
Molecular Weight 446.78
Technique KBr WAFER