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XCTKKWYBYDAEIF-XEZGLNCPSA-N

View entire compound with spectra: 1 NMR

XCTKKWYBYDAEIF-XEZGLNCPSA-N
SpectraBase Compound ID Inu462rgAYl
InChI InChI=1S/C19H16ClNO2S/c20-12-6-8-13(9-7-12)24-18-14-10-15-17(18)19(15,21(22)23)16(14)11-4-2-1-3-5-11/h1-9,14-18H,10H2/t14-,15-,16+,17-,18-,19-/m0/s1
InChIKey XCTKKWYBYDAEIF-XEZGLNCPSA-N
Mol Weight 357.86 g/mol
Molecular Formula C19H16ClNO2S
Exact Mass 357.059028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkBGgqNRhKA
Name XCTKKWYBYDAEIF-XEZGLNCPSA-N
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16ClNO2S
InChI InChI=1S/C19H16ClNO2S/c20-12-6-8-13(9-7-12)24-18-14-10-15-17(18)19(15,21(22)23)16(14)11-4-2-1-3-5-11/h1-9,14-18H,10H2/t14-,15-,16+,17-,18-,19-/m0/s1
InChIKey XCTKKWYBYDAEIF-XEZGLNCPSA-N
Literature Reference Author W.R.BOWMAN,D.S.BROWN,C.A.BURNS,D.CROSBY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2099(1993)
Literature Reference DOI 10.1039/p19930002099
Molecular Weight 357.855 g/mol
Solvent CDCl3
Source File Reference UWCP1587