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PHOTOPSAMMAPLIN

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PHOTOPSAMMAPLIN
SpectraBase Compound ID H0IySKL1cq
InChI InChI=1S/C26H24F6N8O4S2/c27-25(28,29)23(37-38-23)17-5-1-3-15(11-17)13-19(35-43)21(41)33-7-9-45-46-10-8-34-22(42)20(36-44)14-16-4-2-6-18(12-16)24(39-40-24)26(30,31)32/h1-6,11-12,43-44H,7-10,13-14H2,(H,33,41)(H,34,42)/b35-19+,36-20+
InChIKey YDLCJVZWXQTSGN-CQFWSYKGSA-N
Mol Weight 690.64 g/mol
Molecular Formula C26H24F6N8O4S2
Exact Mass 690.126613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDq87dVnGmb
Name PHOTOPSAMMAPLIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22F6N8O4S2
InChI InChI=1S/C26H24F6N8O4S2/c27-25(28,29)23(37-38-23)17-5-1-3-15(11-17)13-19(35-43)21(41)33-7-9-45-46-10-8-34-22(42)20(36-44)14-16-4-2-6-18(12-16)24(39-40-24)26(30,31)32/h1-6,11-12,43-44H,7-10,13-14H2,(H,33,41)(H,34,42)/b35-19+,36-20+
InChIKey YDLCJVZWXQTSGN-CQFWSYKGSA-N
Literature Reference Author F.HENTSCHEL,B.RAIMER,G.KELTER,H.H.FIEBIG,F.SASSE,T.LINDEL
Literature Reference Citation EUR.J.ORG.CHEM.,2014,2120(2014)
Literature Reference DOI 10.1002/ejoc.201301717
Molecular Weight 688.622 g/mol
Solvent DMSO-D6
Source File Reference UWIR19593