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8-(CARBOXAMIDINYLTHIO)-METHYL-6-METHYL-2-PHENYL-4H-1-BENZOPYRAN-4-ONE-HYDROBROMIDE
SpectraBase Compound ID KxXGlJqiMnE
InChI InChI=1S/C18H15BrN2O2S/c1-11-7-13(10-24-18(20)21-19)17-14(8-11)15(22)9-16(23-17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,20,21)
InChIKey VSNMKPHUAJFXRZ-UHFFFAOYSA-N
Mol Weight 403.29 g/mol
Molecular Formula C18H15BrN2O2S
Exact Mass 402.003762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NGEwVoRLgP
Name 8-(CARBOXAMIDINYLTHIO)-METHYL-6-METHYL-2-PHENYL-4H-1-BENZOPYRAN-4-ONE-HYDROBROMIDE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15BrN2O2S
InChI InChI=1S/C18H15BrN2O2S/c1-11-7-13(10-24-18(20)21-19)17-14(8-11)15(22)9-16(23-17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,20,21)
InChIKey VSNMKPHUAJFXRZ-UHFFFAOYSA-N
Literature Reference Author R.A.AITKEN,M.C.BIBBY,J.A.DOUBLE,R.M.PHILLIPS,S.K.SHARMA
Literature Reference Citation ARCH.PHARM.,329,489(1996)
Literature Reference DOI 10.1002/ardp.19963291104
Molecular Weight 403.293 g/mol
Solvent DMSO-D6
Source File Reference UWRU10645