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OUDKHDQSTDUTJP-UHFFFAOYSA-K

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OUDKHDQSTDUTJP-UHFFFAOYSA-K
SpectraBase Compound ID FdevPYAyzgg
InChI InChI=1S/C33H29N4.3CHF3O3S/c1-3-15-34-17-11-22-7-9-24-13-19-36-21-37-20-14-25-10-8-23-12-18-35-16-4-2-6-27(35)29(23)31(25)33(37)32(36)30(24)28(22)26(34)5-1;3*2-1(3,4)8(5,6)7/h1-10,15-16,21H,11-14,17-20H2;3*(H,5,6,7)/q+3;;;/p-3
InChIKey OUDKHDQSTDUTJP-UHFFFAOYSA-K
Mol Weight 928.81 g/mol
Molecular Formula C36H29F9N4O9S3
Exact Mass 928.095296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84LeVpJSQrV
Name OUDKHDQSTDUTJP-UHFFFAOYSA-K
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H29F9N4O9S3
InChI InChI=1S/C33H29N4.3CHF3O3S/c1-3-15-34-17-11-22-7-9-24-13-19-36-21-37-20-14-25-10-8-23-12-18-35-16-4-2-6-27(35)29(23)31(25)33(37)32(36)30(24)28(22)26(34)5-1;3*2-1(3,4)8(5,6)7/h1-10,15-16,21H,11-14,17-20H2;3*(H,5,6,7)/q+3;;;/p-3
InChIKey OUDKHDQSTDUTJP-UHFFFAOYSA-K
Literature Reference Author M.CIZKOVA,D.SAMAN,D.KOVAL,V.KASICKA,B.KLEPETAROVA,I.CISAROVA ,F.TEPLY
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5681(2014)
Literature Reference DOI 10.1002/ejoc.201402746
Molecular Weight 928.813 g/mol
Solvent ACETONE-D6
Source File Reference UWIR19337