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3-(Benzylthiocarbonyl)-4-bromo-2,2,5,5-tetramethyl-1-oxyl-2,5-dihydro-1H-pyryrrole radical
SpectraBase Compound ID Bu13b8mmxQb
InChI InChI=1S/C16H19BrNO2S/c1-15(2)12(13(17)16(3,4)18(15)20)14(19)21-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3/q-1
InChIKey CVWDCJTWHIIUNM-UHFFFAOYSA-N
Mol Weight 369.3 g/mol
Molecular Formula C16H19BrNO2S
Exact Mass 368.031988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtmElFtU8I1
Name 3-(Benzylthiocarbonyl)-4-bromo-2,2,5,5-tetramethyl-1-oxyl-2,5-dihydro-1H-pyryrrole radical
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Formula C16H19BrNO2S
InChI InChI=1S/C16H19BrNO2S/c1-15(2)12(13(17)16(3,4)18(15)20)14(19)21-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3/q-1
InChIKey CVWDCJTWHIIUNM-UHFFFAOYSA-N
Molecular Weight 369.297 g/mol
SMILES C1(=C(C(C)(C)N(C1(C)C)[O-])Br)C(SCc1ccccc1)=O
SPLASH splash10-0006-9013000000-455b60ea133ca1ab4835
Source of Spectrum SO-0-1479-8
Synonyms 3-(Benzylthiocarbonyl)-4-bromo-2,2,5,5-tetramethyl-1-oxyl-2,5-dihydro-1H-pyrrole radical
Wiley ID 875987