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3-(4-Methoxyphenyl)-4-(4-chlorobenzoyl)-1,2,5-thiadiazole
SpectraBase Compound ID IaXgNv7AgsI
InChI InChI=1S/C16H11ClN2O2S/c1-21-13-8-4-10(5-9-13)14-15(19-22-18-14)16(20)11-2-6-12(17)7-3-11/h2-9H,1H3
InChIKey IFVRXKUPQYOARH-UHFFFAOYSA-N
Mol Weight 330.79 g/mol
Molecular Formula C16H11ClN2O2S
Exact Mass 330.022976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsReSHKfwSI
Name 3-(4-Methoxyphenyl)-4-(4-chlorobenzoyl)-1,2,5-thiadiazole
Alternate Name(s) (4-chlorophenyl)[4-(4-methoxyphenyl)-1,2,5-thiadiazol-3-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN2O2S
InChI InChI=1S/C16H11ClN2O2S/c1-21-13-8-4-10(5-9-13)14-15(19-22-18-14)16(20)11-2-6-12(17)7-3-11/h2-9H,1H3
InChIKey IFVRXKUPQYOARH-UHFFFAOYSA-N
Molecular Weight 330.789 g/mol
SMILES c1(c(nsn1)-c1ccc(cc1)OC)C(c1ccc(cc1)Cl)=O
SPLASH splash10-001r-0809000000-2873c2e0a03853fee1a6
Source of Spectrum H1-53-169-3
Wiley ID 817741