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3-(4-Chlorophenyl)-4-(1H-imidazol-1-yl)-5-(methylthio)isoxazole
SpectraBase Compound ID ISMHLEAX3m1
InChI InChI=1S/C13H10ClN3OS/c1-19-13-12(17-7-6-15-8-17)11(16-18-13)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKey MNMQLVUZWRJTEM-UHFFFAOYSA-N
Mol Weight 291.76 g/mol
Molecular Formula C13H10ClN3OS
Exact Mass 291.023311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 896Cu5sTyvn
Name 3-(4-Chlorophenyl)-4-(1H-imidazol-1-yl)-5-(methylthio)isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClN3OS
InChI InChI=1S/C13H10ClN3OS/c1-19-13-12(17-7-6-15-8-17)11(16-18-13)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKey MNMQLVUZWRJTEM-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1098-1071(1998)9_3_317
Molecular Weight 291.756 g/mol
SMILES c1(onc(c1-[n]1cncc1)-c1ccc(cc1)Cl)SC
SPLASH splash10-004i-8960000000-86e80a5b52fea9adc6eb
Source of Spectrum HAC-9-319-3b
Wiley ID 1783170