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Sydnone, 3-[4-(dimethylamino)phenyl]-4-(methylthio)-
SpectraBase Compound ID 8gcWDcWpkcK
InChI InChI=1S/C11H13N3O2S/c1-13(2)8-4-6-9(7-5-8)14-10(17-3)11(15)16-12-14/h4-7H,1-3H3
InChIKey FSTRKYLAOQPJMS-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C11H13N3O2S
Exact Mass 251.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2E0zFGrpjce
Name Sydnone, 3-[4-(dimethylamino)phenyl]-4-(methylthio)-
CAS Registry Number 69978-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O2S
InChI InChI=1S/C11H13N3O2S/c1-13(2)8-4-6-9(7-5-8)14-10(17-3)11(15)16-12-14/h4-7H,1-3H3
InChIKey FSTRKYLAOQPJMS-UHFFFAOYSA-N
Molecular Weight 251.304 g/mol
SMILES CN(C)c1ccc(cc1)-[n+]1c(c([O-])on1)SC
SPLASH splash10-004i-0920000000-34af9fd9070b925ee092
Source of Spectrum W5-22041-0-0
Synonyms 3-[4-(Dimethylamino)phenyl]-4-(methylsulfanyl)-1,2,3-oxadiazol-3-ium-5-olate 3-[4-(dimethylamino)phenyl]-4-(methylthio)-5-oxadiazol-3-iumolate 3-[4-(dimethylamino)phenyl]-4-methylsulfanyloxadiazol-3-ium-5-olate 3-[4-(dimethylamino)phenyl]-4-methylsulfanyl-oxadiazol-3-ium-5-olate 3-[4-(dimethylamino)phenyl]-4-methylsulfanyl-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1254310