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1,3-Bis[(4-chlorophenyl)(hydroxyimino)methyl]-5-(hydroxyimino)-6-methyl-2-thioxotetrahydropyrimidin-4(1H)-one
SpectraBase Compound ID 4wEX1YMA9yC
InChI InChI=1S/C19H15Cl2N5O4S/c1-10-15(22-28)18(27)26(17(24-30)12-4-8-14(21)9-5-12)19(31)25(10)16(23-29)11-2-6-13(20)7-3-11/h2-10,28-30H,1H3
InChIKey QNTKZDCFPXTEOD-UHFFFAOYSA-N
Mol Weight 480.33 g/mol
Molecular Formula C19H15Cl2N5O4S
Exact Mass 479.022181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YU35uxier2
Name 1,3-Bis[(4-chlorophenyl)(hydroxyimino)methyl]-5-(hydroxyimino)-6-methyl-2-thioxotetrahydropyrimidin-4(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15Cl2N5O4S
InChI InChI=1S/C19H15Cl2N5O4S/c1-10-15(22-28)18(27)26(17(24-30)12-4-8-14(21)9-5-12)19(31)25(10)16(23-29)11-2-6-13(20)7-3-11/h2-10,28-30H,1H3
InChIKey QNTKZDCFPXTEOD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201400351
Molecular Weight 480.326 g/mol
SMILES ON=C(N1C(N(C(C(=NO)C1C)=O)C(=NO)c1ccc(cc1)Cl)=S)c1ccc(cc1)Cl
SPLASH splash10-00lr-0412900000-186e17bded4011fb4668
Source of Spectrum QA-62-511-18
Synonyms 1,3-bis((4-chlorophenyl)(hydroxyimino)methyl)-5-(hydroxyimino)-6-methyl-2-thioxotetrahydropyrimidin-4(1H)-one
Wiley ID 1796649