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2,2,2-Trifluoroethyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate

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2,2,2-Trifluoroethyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate
SpectraBase Compound ID 7NMR3bVEbl4
InChI InChI=1S/C22H30F3NO5/c1-3-29-18-10-9-15(13-19(18)30-4-2)11-12-26-20(27)16-7-5-6-8-17(16)21(28)31-14-22(23,24)25/h9-10,13,16-17H,3-8,11-12,14H2,1-2H3,(H,26,27)
InChIKey QYPIXDGORVAEGK-UHFFFAOYSA-N
Mol Weight 445.48 g/mol
Molecular Formula C22H30F3NO5
Exact Mass 445.207608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJYppG1XJRI
Name 2,2,2-Trifluoroethyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.207607554 u
Formula C22H30F3NO5
InChI InChI=1S/C22H30F3NO5/c1-3-29-18-10-9-15(13-19(18)30-4-2)11-12-26-20(27)16-7-5-6-8-17(16)21(28)31-14-22(23,24)25/h9-10,13,16-17H,3-8,11-12,14H2,1-2H3,(H,26,27)
InChIKey QYPIXDGORVAEGK-UHFFFAOYSA-N
Molecular Weight 445.479 g/mol
SMILES C1(C(CCCC1)C(NCCC=1C=C(C(=CC1)OCC)OCC)=O)C(OCC(F)(F)F)=O