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APJZUMRBBYKVAG-MPYJOUPCSA-N

View entire compound with spectra: 1 NMR

APJZUMRBBYKVAG-MPYJOUPCSA-N
SpectraBase Compound ID IhPTEJLuVxv
InChI InChI=1S/C31H29IN2O7S/c32-17-24-16-31(29(37)40-18-21-10-4-1-5-11-21,30(38)41-19-22-12-6-2-7-13-22)34-27(36)26(28(34)42-24)33-25(35)20-39-23-14-8-3-9-15-23/h1-15,24,26,28H,16-20H2,(H,33,35)/t24-,26-,28-/m0/s1
InChIKey APJZUMRBBYKVAG-MPYJOUPCSA-N
Mol Weight 700.54 g/mol
Molecular Formula C31H29IN2O7S
Exact Mass 700.074017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gzrz8ndLPrh
Name APJZUMRBBYKVAG-MPYJOUPCSA-N
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H29IN2O7S
InChI InChI=1S/C31H29IN2O7S/c32-17-24-16-31(29(37)40-18-21-10-4-1-5-11-21,30(38)41-19-22-12-6-2-7-13-22)34-27(36)26(28(34)42-24)33-25(35)20-39-23-14-8-3-9-15-23/h1-15,24,26,28H,16-20H2,(H,33,35)/t24-,26-,28-/m0/s1
InChIKey APJZUMRBBYKVAG-MPYJOUPCSA-N
Literature Reference Author S.WOLFE,S.RO,C.K.KIM,Z.SHI
Literature Reference Citation CAN.J.CHEM.,79,1238(2001)
Literature Reference DOI 10.1139/cjc-79-8-1238
Molecular Weight 700.545 g/mol
Solvent CDCl3