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Diethyl 5-Cyano-4-(4-methylphenyl)thiophene-2,3-dicarboxylate
SpectraBase Compound ID CX5lJo3cFzZ
InChI InChI=1S/C18H17NO4S/c1-4-22-17(20)15-14(12-8-6-11(3)7-9-12)13(10-19)24-16(15)18(21)23-5-2/h6-9H,4-5H2,1-3H3
InChIKey BBXDDVGMSFGWLF-UHFFFAOYSA-N
Mol Weight 343.4 g/mol
Molecular Formula C18H17NO4S
Exact Mass 343.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IP3zL44Ci9A
Name Diethyl 5-Cyano-4-(4-methylphenyl)thiophene-2,3-dicarboxylate
Alternate Name(s) Diethyl 5-cyano-4-(p-tolyl)thiophene-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4S
InChI InChI=1S/C18H17NO4S/c1-4-22-17(20)15-14(12-8-6-11(3)7-9-12)13(10-19)24-16(15)18(21)23-5-2/h6-9H,4-5H2,1-3H3
InChIKey BBXDDVGMSFGWLF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201000082
Molecular Weight 343.397 g/mol
SMILES c1(C(=O)OCC)c(c(-c2ccc(cc2)C)c(C#N)s1)C(=O)OCC
SPLASH splash10-0005-7769000000-50f2ed1a2904c69d4ab9
Source of Spectrum H-93-2179-3d
Wiley ID 1783917