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XPBDXIGVGHLVJJ-XTWSRORZSA-M

View entire compound with spectra: 1 NMR

XPBDXIGVGHLVJJ-XTWSRORZSA-M
SpectraBase Compound ID Kjkv6YVBEaX
InChI InChI=1S/C18H18NO3.C2HF3O2/c1-19(13-14-9-5-3-6-10-14)16(18(21)22-2)17(20)15-11-7-4-8-12-15;3-2(4,5)1(6)7/h3-13,16H,1-2H3;(H,6,7)/q+1;/p-1/b19-13+;
InChIKey XPBDXIGVGHLVJJ-XTWSRORZSA-M
Mol Weight 409.36 g/mol
Molecular Formula C20H18F3NO5
Exact Mass 409.113707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4baL5oN4jzt
Name XPBDXIGVGHLVJJ-XTWSRORZSA-M
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18F3NO5
InChI InChI=1S/C18H18NO3.C2HF3O2/c1-19(13-14-9-5-3-6-10-14)16(18(21)22-2)17(20)15-11-7-4-8-12-15;3-2(4,5)1(6)7/h3-13,16H,1-2H3;(H,6,7)/q+1;/p-1/b19-13+;
InChIKey XPBDXIGVGHLVJJ-XTWSRORZSA-M
Literature Reference Author M.VAULTIER,G.MULLICK,R.CARRIE
Literature Reference Citation CAN.J.CHEM.,57,2876(1979)
Literature Reference DOI 10.1139/v79-467
Molecular Weight 409.362 g/mol
Solvent CDCl3
Source File Reference UWCS6434