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2-(3-BENZOYLPHENYL)-7-IODO-2-METHYLHEPTANOIC-ACID
SpectraBase Compound ID DiM8X8XOnDx
InChI InChI=1S/C21H23IO3/c1-21(20(24)25,13-6-3-7-14-22)18-12-8-11-17(15-18)19(23)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,24,25)
InChIKey SQDQUCXZRUYCCB-UHFFFAOYSA-N
Mol Weight 450.32 g/mol
Molecular Formula C21H23IO3
Exact Mass 450.06919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEdZzor6Lys
Name 2-(3-BENZOYLPHENYL)-7-IODO-2-METHYLHEPTANOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23IO3
InChI InChI=1S/C21H23IO3/c1-21(20(24)25,13-6-3-7-14-22)18-12-8-11-17(15-18)19(23)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,24,25)
InChIKey SQDQUCXZRUYCCB-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 450.316 g/mol
Sample ID 48652
Solvent CDCl3