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IFVYWGYIKNRORF-XSHULVFZSA-N

View entire compound with spectra: 2 NMR

IFVYWGYIKNRORF-XSHULVFZSA-N
SpectraBase Compound ID DyP4wEGH7Dz
InChI InChI=1S/2C28H25N2OP.H2O4S/c2*31-28(30-29-23-24-13-5-1-6-14-24)21-22-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;1-5(2,3)4/h2*1-20,23H,21-22H2;(H2,1,2,3,4)/b2*29-23+;
InChIKey IFVYWGYIKNRORF-XSHULVFZSA-N
Mol Weight 971.06 g/mol
Molecular Formula C56H52N4O6P2S
Exact Mass 970.308281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaZWBX4HjT6
Name IFVYWGYIKNRORF-XSHULVFZSA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H52N4O6P2S
InChI InChI=1S/2C28H25N2OP.H2O4S/c2*31-28(30-29-23-24-13-5-1-6-14-24)21-22-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;1-5(2,3)4/h2*1-20,23H,21-22H2;(H2,1,2,3,4)/b2*29-23+;
InChIKey IFVYWGYIKNRORF-XSHULVFZSA-N
Literature Reference Author S.CUNHA,A.KASCHERES
Literature Reference Citation J.BRAZ.CHEM.SOC.,11,525(2000)
Literature Reference DOI 10.1590/s0103-50532000000500015
Molecular Weight 971.060 g/mol
Solvent CDCl3
Source File Reference UWMS5699