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5H-6,7-DIHYDRO-BENZO-[A,C]-CYCLOHEPTEN-6,6-DIYL-6-ETHOXYCARBONYL-6-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID 5ge5ItUcjNr
InChI InChI=1S/C22H27O5P/c1-4-25-21(23)22(28(24,26-5-2)27-6-3)15-17-11-7-9-13-19(17)20-14-10-8-12-18(20)16-22/h7-14H,4-6,15-16H2,1-3H3
InChIKey NURNIQYDYDXEFA-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C22H27O5P
Exact Mass 402.159611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QLoO37fE7Y
Name 5H-6,7-DIHYDRO-BENZO-[A,C]-CYCLOHEPTEN-6,6-DIYL-6-ETHOXYCARBONYL-6-PHOSPHONIC-ACID-DIETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27O5P
InChI InChI=1S/C22H27O5P/c1-4-25-21(23)22(28(24,26-5-2)27-6-3)15-17-11-7-9-13-19(17)20-14-10-8-12-18(20)16-22/h7-14H,4-6,15-16H2,1-3H3
InChIKey NURNIQYDYDXEFA-UHFFFAOYSA-N
Literature Reference Author R.NEIDLEIN,T.EICHINGER
Literature Reference Citation MH.CHEM.,123,1037(1992)
Literature Reference DOI 10.1007/BF00810935
Molecular Weight 402.427 g/mol
Solvent CDCl3
Source File Reference UWSK1030