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N-[2-(4-tert-Butylbenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
SpectraBase Compound ID 3xHQkAtwdaK
InChI InChI=1S/C22H23ClN2O2S/c1-12-10-13(2)24-21-17(12)18(25-16(26)11-23)20(28-21)19(27)14-6-8-15(9-7-14)22(3,4)5/h6-10H,11H2,1-5H3,(H,25,26)
InChIKey SWKVOTYBNRVWIS-UHFFFAOYSA-N
Mol Weight 414.95 g/mol
Molecular Formula C22H23ClN2O2S
Exact Mass 414.116877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8lVRxzGygv
Name N-[2-(4-tert-Butylbenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
Appearance Colorless crystals
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Formula C22H23ClN2O2S
InChI InChI=1S/C22H23ClN2O2S/c1-12-10-13(2)24-21-17(12)18(25-16(26)11-23)20(28-21)19(27)14-6-8-15(9-7-14)22(3,4)5/h6-10H,11H2,1-5H3,(H,25,26)
InChIKey SWKVOTYBNRVWIS-UHFFFAOYSA-N
Instrument Name Kratos MS-30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2936
Molecular Weight 414.951 g/mol
SMILES N(c1c(C(c2ccc(cc2)C(C)(C)C)=O)sc2c1c(cc(n2)C)C)C(CCl)=O
SPLASH splash10-03xr-3914200000-dbb6a06f52e359a7966c
Source of Spectrum Y-54-3204-1b
Wiley ID 1878627