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5-tert-butyl-3-{[(4-chloro-2,5-xylyl)thio]methyl}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 8OTmmaLZUnv
InChI InChI=1S/C19H23ClO2S2/c1-11-8-15(12(2)7-14(11)20)23-10-13-9-16(19(3,4)5)24-17(13)18(21)22-6/h7-9H,10H2,1-6H3
InChIKey JWNSKCSRMXLYEG-UHFFFAOYSA-N
Mol Weight 382.96 g/mol
Molecular Formula C19H23ClO2S2
Exact Mass 382.0828 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A2vn2eMX55M
Name 5-tert-BUTYL-3-{[(4-CHLORO-2,5-XYLYL)THIO]METHYL}-2-THIOPHENE-CARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23ClO2S2
InChI InChI=1S/C19H23ClO2S2/c1-11-8-15(12(2)7-14(11)20)23-10-13-9-16(19(3,4)5)24-17(13)18(21)22-6/h7-9H,10H2,1-6H3
InChIKey JWNSKCSRMXLYEG-UHFFFAOYSA-N
Melting Point 86-89C
Molecular Weight 382.98
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-///4-CHLORO-2,5-XYLYL/THIO/METHYL/-, METHYL ESTER