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4-[3-(Benzoylmethylamino)-2-(4-chlorophenyl)thioacryloyl]morpholine
SpectraBase Compound ID 9uto8ujXx9A
InChI InChI=1S/C21H21ClN2O2S/c22-18-8-6-16(7-9-18)19(21(27)24-10-12-26-13-11-24)14-23-15-20(25)17-4-2-1-3-5-17/h1-9,14,23H,10-13,15H2/b19-14+
InChIKey CXIOPEURWDMXLQ-XMHGGMMESA-N
Mol Weight 400.92 g/mol
Molecular Formula C21H21ClN2O2S
Exact Mass 400.101227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLz7DZSPHXp
Name 4-[3-(Benzoylmethylamino)-2-(4-chlorophenyl)thioacryloyl]morpholine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN2O2S
InChI InChI=1S/C21H21ClN2O2S/c22-18-8-6-16(7-9-18)19(21(27)24-10-12-26-13-11-24)14-23-15-20(25)17-4-2-1-3-5-17/h1-9,14,23H,10-13,15H2/b19-14+
InChIKey CXIOPEURWDMXLQ-XMHGGMMESA-N
Molecular Weight 400.924 g/mol
SMILES N(\C=C\(C(N1CCOCC1)=S)c1ccc(cc1)Cl)CC(=O)c1ccccc1
SPLASH splash10-0gc0-4790300000-f9e8537b8fe186e7dd39
Source of Spectrum KC-0-2341-1
Synonyms 2-{[(1E)-2-(4-chlorophenyl)-3-(4-morpholinyl)-3-thioxo-1-propenyl]amino}-1-phenylethanone
Wiley ID 786489