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PJCRROSQDMXMTL-NOCIGQNYSA-N

View entire compound with spectra: 1 NMR

PJCRROSQDMXMTL-NOCIGQNYSA-N
SpectraBase Compound ID J5B8Cro8m4v
InChI InChI=1S/C20H20N2O5S/c1-10-8-12-15(20(26)27-2)22-18(25)14(19(22)28-17(12)16(10)24)21-13(23)9-11-6-4-3-5-7-11/h3-8,14,16-17,19,24H,9H2,1-2H3,(H,21,23)/t14-,16+,17-,19-/m1/s1
InChIKey PJCRROSQDMXMTL-NOCIGQNYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C20H20N2O5S
Exact Mass 400.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DcgdJrpUW5
Name PJCRROSQDMXMTL-NOCIGQNYSA-N
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N2O5S
InChI InChI=1S/C20H20N2O5S/c1-10-8-12-15(20(26)27-2)22-18(25)14(19(22)28-17(12)16(10)24)21-13(23)9-11-6-4-3-5-7-11/h3-8,14,16-17,19,24H,9H2,1-2H3,(H,21,23)/t14-,16+,17-,19-/m1/s1
InChIKey PJCRROSQDMXMTL-NOCIGQNYSA-N
Literature Reference Author J.PITLIK,T.E.GUNDA,G.BETTA,J.JEKOE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3043(1994)
Literature Reference DOI 10.1039/p19940003043
Molecular Weight 400.449 g/mol
Solvent CDCl3
Source File Reference UWRU4285