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YSYUQSNPUQJHIT-IRMULARKSA-N

View entire compound with spectra: 1 NMR

YSYUQSNPUQJHIT-IRMULARKSA-N
SpectraBase Compound ID 5LH96TBvADU
InChI InChI=1S/C28H27Cl3N2O7/c1-15-16(2)24(35)33(23(15)34)20-22(36-13-17-9-5-3-6-10-17)21-19(38-26(20)40-27(32)28(29,30)31)14-37-25(39-21)18-11-7-4-8-12-18/h3-12,19-22,25-26,32H,13-14H2,1-2H3/t19-,20-,21-,22-,25-,26+/m0/s1
InChIKey YSYUQSNPUQJHIT-IRMULARKSA-N
Mol Weight 609.89 g/mol
Molecular Formula C28H27Cl3N2O7
Exact Mass 608.088384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Frd4E1wpKJl
Name YSYUQSNPUQJHIT-IRMULARKSA-N
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27Cl3N2O7
InChI InChI=1S/C28H27Cl3N2O7/c1-15-16(2)24(35)33(23(15)34)20-22(36-13-17-9-5-3-6-10-17)21-19(38-26(20)40-27(32)28(29,30)31)14-37-25(39-21)18-11-7-4-8-12-18/h3-12,19-22,25-26,32H,13-14H2,1-2H3/t19-,20-,21-,22-,25-,26+/m0/s1
InChIKey YSYUQSNPUQJHIT-IRMULARKSA-N
Literature Reference Author D.HESEK,M.SUVOROV,K.MORIO,M.LEE,S.BROWN,S.B.VAKULENKO,S.MOBA SHERY
Literature Reference Citation J.ORG.CHEM.,69,778(2004)
Literature Reference DOI 10.1021/jo035397e
Molecular Weight 609.891 g/mol
Solvent CDCl3
Source File Reference UWVN21548