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Methyl (2E)-3-[2-methyl-1-(4-nitrophenyl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridine-1-yl]acrylate
SpectraBase Compound ID 5dpCjhXxT2X
InChI InChI=1S/C22H20N2O4S/c1-23-14-12-18-17-5-3-4-6-19(17)29-21(18)22(23,13-11-20(25)28-2)15-7-9-16(10-8-15)24(26)27/h3-11,13H,12,14H2,1-2H3/b13-11+
InChIKey NZFUEIBUCAQOEM-ACCUITESSA-N
Mol Weight 408.47 g/mol
Molecular Formula C22H20N2O4S
Exact Mass 408.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KmuNv1hBeE
Name Methyl (2E)-3-[2-methyl-1-(4-nitrophenyl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridine-1-yl]acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O4S
InChI InChI=1S/C22H20N2O4S/c1-23-14-12-18-17-5-3-4-6-19(17)29-21(18)22(23,13-11-20(25)28-2)15-7-9-16(10-8-15)24(26)27/h3-11,13H,12,14H2,1-2H3/b13-11+
InChIKey NZFUEIBUCAQOEM-ACCUITESSA-N
Molecular Weight 408.472 g/mol
SMILES c12C(\C=C\C(=O)OC)(N(CCc2c2ccccc2s1)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0a4u-9463100000-6c95ba749892597c80b1
Source of Spectrum F-66-9425-19c
Wiley ID 1685105