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SRKJDYSHFHTVAW-BZSNNMDCSA-N

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SRKJDYSHFHTVAW-BZSNNMDCSA-N
SpectraBase Compound ID KlZAPofplCH
InChI InChI=1S/C27H39N9O3S3/c28-10-4-1-7-16-25-34-20(13-40-25)23(38)32-18(9-3-6-12-30)27-36-21(15-42-27)24(39)33-17(8-2-5-11-29)26-35-19(14-41-26)22(37)31-16/h13-18H,1-12,28-30H2,(H,31,37)(H,32,38)(H,33,39)/t16-,17-,18-/m0/s1
InChIKey SRKJDYSHFHTVAW-BZSNNMDCSA-N
Mol Weight 633.8 g/mol
Molecular Formula C27H39N9O3S3
Exact Mass 633.2338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9SMR03zhof
Name SRKJDYSHFHTVAW-BZSNNMDCSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39N9O3S3
InChI InChI=1S/C27H39N9O3S3/c28-10-4-1-7-16-25-34-20(13-40-25)23(38)32-18(9-3-6-12-30)27-36-21(15-42-27)24(39)33-17(8-2-5-11-29)26-35-19(14-41-26)22(37)31-16/h13-18H,1-12,28-30H2,(H,31,37)(H,32,38)(H,33,39)/t16-,17-,18-/m0/s1
InChIKey SRKJDYSHFHTVAW-BZSNNMDCSA-N
Literature Reference Author Y.SINGH,N.SOKOLENKO,M.J.KELSO,L.R.GAHAN,G.ABBENANTE,D.P.FAIR LIE
Literature Reference Citation J.AM.CHEM.SOC.,123,333(2001)
Literature Reference DOI 10.1021/ja002666z
Molecular Weight 633.845 g/mol
Solvent DMSO-D6
Source File Reference UWVN28577