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3-(3',4'-DIMETHYL-1'-H-PHOSPHOLE-2',5'-DICARBOXYLIC_ACID)-PROPIONITRILE
SpectraBase Compound ID GSPNCufNPuj
InChI InChI=1S/C11H12NO4P/c1-6-7(2)9(11(15)16)17(5-3-4-12)8(6)10(13)14/h3,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKey VMYVLGDORFWLAV-UHFFFAOYSA-N
Mol Weight 253.19 g/mol
Molecular Formula C11H12NO4P
Exact Mass 253.050395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SyoZxi2ZMx
Name 3-(3',4'-DIMETHYL-1'-H-PHOSPHOLE-2',5'-DICARBOXYLIC_ACID)-PROPIONITRILE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12NO4P
InChI InChI=1S/C11H12NO4P/c1-6-7(2)9(11(15)16)17(5-3-4-12)8(6)10(13)14/h3,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKey VMYVLGDORFWLAV-UHFFFAOYSA-N
Literature Reference Author M.MELAIMI,L.RICARD,F.MATHEY,P.L.FLOCH
Literature Reference Citation ORG.LETTERS,4,1245(2002)
Literature Reference DOI 10.1021/ol0102895
Molecular Weight 253.194 g/mol
Solvent THF-D8
Source File Reference UWMZ25233