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2-[[2,2,2-trichloro-1-[(3-chlorobenzoyl)amino]ethyl]thiocarbamoylamino]benzoic acid methyl ester
SpectraBase Compound ID 9lrfYpkLEPp
InChI InChI=1S/C18H15Cl4N3O3S/c1-28-15(27)12-7-2-3-8-13(12)23-17(29)25-16(18(20,21)22)24-14(26)10-5-4-6-11(19)9-10/h2-9,16H,1H3,(H,24,26)(H2,23,25,29)
InChIKey HNEQJIQIVJKODL-UHFFFAOYSA-N
Mol Weight 495.2 g/mol
Molecular Formula C18H15Cl4N3O3S
Exact Mass 492.958823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMEAvKXmdvx
Name METHYL 2-{3-[2,2,2-TRICHLORO-1-(3-CHLOROBENZAMIDO)ETHYL]-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H15Cl4N3O3S
InChI InChI=1S/C18H15Cl4N3O3S/c1-28-15(27)12-7-2-3-8-13(12)23-17(29)25-16(18(20,21)22)24-14(26)10-5-4-6-11(19)9-10/h2-9,16H,1H3,(H,24,26)(H2,23,25,29)
InChIKey HNEQJIQIVJKODL-UHFFFAOYSA-N
Molecular Weight 492.9587
SMILES N(C(NC(NC(c1cccc(Cl)c1)=O)C(Cl)(Cl)Cl)=S)c1ccccc1C(OC)=O
SPLASH splash10-000i-9800000000-6ab051e0d3e84326b02c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany