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5-(1'-Phenylsulfonylpyrrole-3-yl)-2-methylthio-pyrimidine
SpectraBase Compound ID FH1PpG8ms6D
InChI InChI=1S/C15H13N3O2S2/c1-21-15-16-9-13(10-17-15)12-7-8-18(11-12)22(19,20)14-5-3-2-4-6-14/h2-11H,1H3
InChIKey HMPZYIOIVHUIJP-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C15H13N3O2S2
Exact Mass 331.044919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTZiiLgQzv4
Name 5-(1'-Phenylsulfonylpyrrole-3-yl)-2-methylthio-pyrimidine
Alternate Name(s) 2-(methylsulfanyl)-5-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]pyrimidine Methyl 5-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-pyrimidinyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O2S2
InChI InChI=1S/C15H13N3O2S2/c1-21-15-16-9-13(10-17-15)12-7-8-18(11-12)22(19,20)14-5-3-2-4-6-14/h2-11H,1H3
InChIKey HMPZYIOIVHUIJP-UHFFFAOYSA-N
Molecular Weight 331.408 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1-c1cnc(nc1)SC
SPLASH splash10-000x-5907000000-9fc76ded177335dfad4d
Source of Spectrum SB-47-61-9
Wiley ID 1328540