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Mesoionic 2-(4-Chlorophenyl)-3-methyl-4-(4'-isopropylphenyl)-1,3-thiazolium-5-thioate
SpectraBase Compound ID EiKBB2u8L6T
InChI InChI=1S/C19H18ClNS2/c1-12(2)13-4-6-14(7-5-13)17-19(22)23-18(21(17)3)15-8-10-16(20)11-9-15/h4-12H,1-3H3
InChIKey TVKOKVFCRAPCNQ-UHFFFAOYSA-N
Mol Weight 359.93 g/mol
Molecular Formula C19H18ClNS2
Exact Mass 359.05692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCFYvvS1jEE
Name Mesoionic 2-(4-Chlorophenyl)-3-methyl-4-(4'-isopropylphenyl)-1,3-thiazolium-5-thioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClNS2
InChI InChI=1S/C19H18ClNS2/c1-12(2)13-4-6-14(7-5-13)17-19(22)23-18(21(17)3)15-8-10-16(20)11-9-15/h4-12H,1-3H3
InChIKey TVKOKVFCRAPCNQ-UHFFFAOYSA-N
Molecular Weight 359.933 g/mol
SMILES c1([n+](c(c(s1)[S-])-c1ccc(cc1)C(C)C)C)-c1ccc(cc1)Cl
SPLASH splash10-014i-0907000000-0cf6c3989c435813cf57
Source of Spectrum CV-2003-690-4
Wiley ID 1610920