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4-[3-(dimethylamino)acryloyl]-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 1zeMBDd4ACw
InChI InChI=1S/C13H17NO3S2/c1-8-10(9(15)6-7-14(2)3)13(18-5)19-11(8)12(16)17-4/h6-7H,1-5H3
InChIKey QVPDHPJJWGLQPU-UHFFFAOYSA-N
Mol Weight 299.4 g/mol
Molecular Formula C13H17NO3S2
Exact Mass 299.064986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVg1NTzQeUK
Name 4-[3-(DIMETHYLAMINO)ACRYLOYL]-3-METHYL-5-(METHYLTHIO)-2-THIOPHENECARBOXYLIC 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 C13H17NO3S2
InChI InChI=1S/C13H17NO3S2/c1-8-10(9(15)6-7-14(2)3)13(18-5)19-11(8)12(16)17-4/h6-7H,1-5H3
InChIKey QVPDHPJJWGLQPU-UHFFFAOYSA-N
Melting Point 119-120C
Molecular Weight 299.41
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXYLIC ACID, 4-/3-/DIMETHYLAMINO/ACRYLOYL/-3-METHYL- 5-/METHYLTHIO/-, METHYL ESTER