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DIETHYL-4,5-BENZO-EXO-7-BENZOYL-3-OXA-2-OXO-CIS-BICYCLO-[4.1.0]-HEPT-4-EN-1-PHOSPHONATE
SpectraBase Compound ID 3h50WfzeV3n
InChI InChI=1S/C21H21O6P/c1-3-25-28(24,26-4-2)21-17(15-12-8-9-13-16(15)27-20(21)23)18(21)19(22)14-10-6-5-7-11-14/h5-13,17-18H,3-4H2,1-2H3/t17-,18+,21+/m1/s1
InChIKey VPTAYNLGRHITSP-LQWHRVPQSA-N
Mol Weight 400.37 g/mol
Molecular Formula C21H21O6P
Exact Mass 400.107575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhEsgHNCzJQ
Name DIETHYL-4,5-BENZO-EXO-7-BENZOYL-3-OXA-2-OXO-CIS-BICYCLO-[4.1.0]-HEPT-4-EN-1-PHOSPHONATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21O6P
InChI InChI=1S/C21H21O6P/c1-3-25-28(24,26-4-2)21-17(15-12-8-9-13-16(15)27-20(21)23)18(21)19(22)14-10-6-5-7-11-14/h5-13,17-18H,3-4H2,1-2H3/t17-,18+,21+/m1/s1
InChIKey VPTAYNLGRHITSP-LQWHRVPQSA-N
Literature Reference Author N.A.RODIOS,A.BOJILOVA,A.TERZIS,C.P.RAPTOPOULOU
Literature Reference Citation J.HETCYCL.CHEM.,31,1129(1994)
Literature Reference DOI 10.1002/jhet.5570310505
Molecular Weight 400.368 g/mol
Solvent CDCl3
Source File Reference UWCS18970