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10-(p-tToluenesulfonyl)-8-thia-10-azabicyclo[5.3.0]deca-2,4,6-trien-9-one
SpectraBase Compound ID 4nmjCgKc5s0
InChI InChI=1S/C15H13NO3S2/c1-11-7-9-12(10-8-11)21(18,19)16-13-5-3-2-4-6-14(13)20-15(16)17/h2-10,13H,1H3
InChIKey MSIQEIJFGVVSIP-UHFFFAOYSA-N
Mol Weight 319.39 g/mol
Molecular Formula C15H13NO3S2
Exact Mass 319.033686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17CCL0EXisS
Name 10-(p-tToluenesulfonyl)-8-thia-10-azabicyclo[5.3.0]deca-2,4,6-trien-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO3S2
InChI InChI=1S/C15H13NO3S2/c1-11-7-9-12(10-8-11)21(18,19)16-13-5-3-2-4-6-14(13)20-15(16)17/h2-10,13H,1H3
InChIKey MSIQEIJFGVVSIP-UHFFFAOYSA-N
Molecular Weight 319.393 g/mol
SMILES c1(S(N2C(SC=3C2C=CC=CC3)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0a4i-0911000000-3260e9a4db66b16df658
Source of Spectrum H1-34-1419-7
Synonyms 3-[(4-methylphenyl)sulfonyl]-3,3a-dihydro-2H-cyclohepta[d][1,3]thiazol-2-one
Wiley ID 754775