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TERT.-BUTYL-2-(3-BENZOYLPHENYL)-7-IODO-2-METHYLHEPTANOATE

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TERT.-BUTYL-2-(3-BENZOYLPHENYL)-7-IODO-2-METHYLHEPTANOATE
SpectraBase Compound ID LPMT6PM6Vff
InChI InChI=1S/C25H31IO3/c1-24(2,3)29-23(28)25(4,16-9-6-10-17-26)21-15-11-14-20(18-21)22(27)19-12-7-5-8-13-19/h5,7-8,11-15,18H,6,9-10,16-17H2,1-4H3
InChIKey SLBVSFRLCABMSL-UHFFFAOYSA-N
Mol Weight 506.42 g/mol
Molecular Formula C25H31IO3
Exact Mass 506.13179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIC8MrWPHtc
Name TERT.-BUTYL-2-(3-BENZOYLPHENYL)-7-IODO-2-METHYLHEPTANOATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31IO3
InChI InChI=1S/C25H31IO3/c1-24(2,3)29-23(28)25(4,16-9-6-10-17-26)21-15-11-14-20(18-21)22(27)19-12-7-5-8-13-19/h5,7-8,11-15,18H,6,9-10,16-17H2,1-4H3
InChIKey SLBVSFRLCABMSL-UHFFFAOYSA-N
Literature Reference Author L.LLUGER,G.COSA,J.C.SCAIANO
Literature Reference Citation J.AM.CHEM.SOC.,124,15308(2002)
Literature Reference DOI 10.1021/ja027624k
Molecular Weight 506.424 g/mol
Sample ID 48650
Solvent CDCl3