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Cyclopentanecarboxylic acid, 2-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-5-oxo-, methyl ester, [1.alpha.,2.beta.(1R*,2E)]-(.+-.)-

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

Cyclopentanecarboxylic acid, 2-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-5-oxo-, methyl ester, [1.alpha.,2.beta.(1R*,2E)]-(.+-.)-
SpectraBase Compound ID FEZSyitwTNI
InChI InChI=1S/C23H25O4P/c1-17(20-13-14-21(24)22(20)23(25)27-2)15-16-28(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,20,22H,13-14H2,1-2H3/b16-15+/t17?,20-,22+/m0/s1
InChIKey YVPQBEGRSDSJIE-BLVHAMSRSA-N
Mol Weight 396.42 g/mol
Molecular Formula C23H25O4P
Exact Mass 396.149046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Du2cIlq0akS
Name Cyclopentanecarboxylic acid, 2-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-5-oxo-, methyl ester, [1.alpha.,2.beta.(1R*,2E)]-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.149046279 u
Formula C23H25O4P
InChI InChI=1S/C23H25O4P/c1-17(20-13-14-21(24)22(20)23(25)27-2)15-16-28(26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,20,22H,13-14H2,1-2H3/b16-15+/t17?,20-,22+/m0/s1
InChIKey YVPQBEGRSDSJIE-BLVHAMSRSA-N
Molecular Weight 396.423 g/mol
SMILES [C@@]1([C@@](CCC1=O)(C(\C=C\P(=O)(C1=CC=CC=C1)C=1C=CC=CC1)C)[H])(C(=O)OC)[H]