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CCIJEZIWMSQIES-UHFFFAOYSA-N

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CCIJEZIWMSQIES-UHFFFAOYSA-N
SpectraBase Compound ID 5nllFzHeZaE
InChI InChI=1S/2C19H29N5O6S/c2*25-15(4-5-17(27)28)22-7-6-13(19(29)23-11-14-20-8-9-21-14)24-16(26)12-31-18-3-1-2-10-30-18/h2*8-9,13,18H,1-7,10-12H2,(H,20,21)(H,22,25)(H,23,29)(H,24,26)(H,27,28)
InChIKey CCIJEZIWMSQIES-UHFFFAOYSA-N
Mol Weight 911.06 g/mol
Molecular Formula C38H58N10O12S2
Exact Mass 910.36771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9q53CUUMACO
Name CCIJEZIWMSQIES-UHFFFAOYSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H58N10O12S2
InChI InChI=1S/2C19H29N5O6S/c2*25-15(4-5-17(27)28)22-7-6-13(19(29)23-11-14-20-8-9-21-14)24-16(26)12-31-18-3-1-2-10-30-18/h2*8-9,13,18H,1-7,10-12H2,(H,20,21)(H,22,25)(H,23,29)(H,24,26)(H,27,28)
InChIKey CCIJEZIWMSQIES-UHFFFAOYSA-N
Literature Reference Author R.RAJAGOPALAN,R.R.KUNTZ,U.SHARMA,W.A.VOLKERT,R.S.PANDURANGI
Literature Reference Citation J.ORG.CHEM.,67,6748(2002)
Literature Reference DOI 10.1021/jo010782u
Molecular Weight 911.058 g/mol
Solvent D2O
Source File Reference UWSI22077