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2-(2-METHYL-CYClOPENTAN-1-ON-3-YL)-2-METHYL-ACETIC-ACID;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID CASe8FR1fD4
InChI InChI=1S/C9H14O3/c1-5-7(3-4-8(5)10)6(2)9(11)12/h5-7H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7+/m1/s1
InChIKey XXCPMNRRDCGAHT-VQVTYTSYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYh4Vrg0ard
Name 2-(2-METHYL-CYClOPENTAN-1-ON-3-YL)-2-METHYL-ACETIC-ACID;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-5-7(3-4-8(5)10)6(2)9(11)12/h5-7H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7+/m1/s1
InChIKey XXCPMNRRDCGAHT-VQVTYTSYSA-N
Literature Reference Author D.DESMAELE,J.FICINI,A.GUINGANT,P.KAHN
Literature Reference Citation TETRAH.LETT.,24,3079(1983)
Literature Reference DOI 10.1016/S0040-4039(00)88100-9
Molecular Weight 170.208 g/mol
Solvent CDCl3
Source File Reference UWWR5002