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POLYCITRIN-B

View entire compound with spectra: 1 NMR, and 1 MS (GC)

POLYCITRIN-B
SpectraBase Compound ID DSHVLh4UKmm
InChI InChI=1S/C25H17Br4NO5/c1-35-23-18(28)10-14(11-19(23)29)21-20(13-8-16(26)22(32)17(27)9-13)24(33)30(25(21)34)7-6-12-2-4-15(31)5-3-12/h2-5,8-11,31-32H,6-7H2,1H3
InChIKey KRCOALHPDSSJGT-UHFFFAOYSA-N
Mol Weight 731.03 g/mol
Molecular Formula C25H17Br4NO5
Exact Mass 726.784025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JxtVkXal8F
Name POLYCITRIN-B
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H17Br4NO5
InChI InChI=1S/C25H17Br4NO5/c1-35-23-18(28)10-14(11-19(23)29)21-20(13-8-16(26)22(32)17(27)9-13)24(33)30(25(21)34)7-6-12-2-4-15(31)5-3-12/h2-5,8-11,31-32H,6-7H2,1H3
InChIKey KRCOALHPDSSJGT-UHFFFAOYSA-N
Literature Reference Author A.RUDI,I.GOLDBERG,Z.STEIN,F.FROLOW,Y.BENAYAHU,M.SCHLEYER,Y.K ASHMAN
Literature Reference Citation J.ORG.CHEM.,59,999(1994)
Literature Reference DOI 10.1021/jo00084a015
Molecular Weight 731.030 g/mol
Solvent CDCl3
Source File Reference UWCP4930