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4-[1,4-Bis(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)sydnon
SpectraBase Compound ID CMyB7p7ytIv
InChI InChI=1S/C23H15Cl2N5O4/c1-33-19-12-10-17(11-13-19)29-20(22(31)34-27-29)21-26-30(18-8-4-15(25)5-9-18)23(32)28(21)16-6-2-14(24)3-7-16/h2-13H,1H3
InChIKey VXEONSOTMYIARX-UHFFFAOYSA-N
Mol Weight 496.31 g/mol
Molecular Formula C23H15Cl2N5O4
Exact Mass 495.050109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Der62HCoZtB
Name 4-[1,4-Bis(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)sydnon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15Cl2N5O4
InChI InChI=1S/C23H15Cl2N5O4/c1-33-19-12-10-17(11-13-19)29-20(22(31)34-27-29)21-26-30(18-8-4-15(25)5-9-18)23(32)28(21)16-6-2-14(24)3-7-16/h2-13H,1H3
InChIKey VXEONSOTMYIARX-UHFFFAOYSA-N
Molecular Weight 496.310 g/mol
SMILES C=1(N(C(=O)N(N1)c1ccc(cc1)Cl)c1ccc(cc1)Cl)c1[n+](noc1[O-])-c1ccc(cc1)OC
SPLASH splash10-000i-1100900000-c1b44aef788a727946e3
Source of Spectrum QA-47-237-11
Wiley ID 863383