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1-(2,3-Bis-<3,5-dinitrobenzoyloxy>-propyl)-5-nit ro-uracil
SpectraBase Compound ID 2II27qDEgW
InChI InChI=1S/C21H13N7O16/c29-18-17(28(41)42)8-23(21(32)22-18)7-16(44-20(31)11-3-14(26(37)38)6-15(4-11)27(39)40)9-43-19(30)10-1-12(24(33)34)5-13(2-10)25(35)36/h1-6,8,16H,7,9H2,(H,22,29,32)
InChIKey NJWBHNTYVRHSGN-UHFFFAOYSA-N
Mol Weight 619.37 g/mol
Molecular Formula C21H13N7O16
Exact Mass 619.041877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ev2Rj4bWQJ
Name 1-(2,3-Bis-<3,5-dinitrobenzoyloxy>-propyl)-5-nit ro-uracil
CAS Registry Number 123417-39-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H13N7O16
InChI InChI=1S/C21H13N7O16/c29-18-17(28(41)42)8-23(21(32)22-18)7-16(44-20(31)11-3-14(26(37)38)6-15(4-11)27(39)40)9-43-19(30)10-1-12(24(33)34)5-13(2-10)25(35)36/h1-6,8,16H,7,9H2,(H,22,29,32)
InChIKey NJWBHNTYVRHSGN-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference M. Jokic, V. Skaric, J. Chem. Soc. Perkin I 757 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6