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LGSZWIYPDBUFSB-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

LGSZWIYPDBUFSB-UHFFFAOYSA-N
SpectraBase Compound ID 4ho5OM6pG9j
InChI InChI=1S/C20H22IN3O2S/c1-15-7-9-16(10-8-15)27(25,26)24-18-6-4-3-5-17(18)19(21)20(24)23-13-11-22(2)12-14-23/h3-10H,11-14H2,1-2H3
InChIKey LGSZWIYPDBUFSB-UHFFFAOYSA-N
Mol Weight 495.38 g/mol
Molecular Formula C20H22IN3O2S
Exact Mass 495.047743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgGEN1Xe8Ea
Name LGSZWIYPDBUFSB-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22IN3O2S
InChI InChI=1S/C20H22IN3O2S/c1-15-7-9-16(10-8-15)27(25,26)24-18-6-4-3-5-17(18)19(21)20(24)23-13-11-22(2)12-14-23/h3-10H,11-14H2,1-2H3
InChIKey LGSZWIYPDBUFSB-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 495.378 g/mol
Source File Reference MHKO17265