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Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, decyl ester

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Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, decyl ester
SpectraBase Compound ID Bttkb4BTeDv
InChI InChI=1S/C24H33F6NO3/c1-2-3-4-5-6-7-8-9-13-34-22(33)12-10-11-21(32)31-17-18-14-19(23(25,26)27)16-20(15-18)24(28,29)30/h14-16H,2-13,17H2,1H3,(H,31,32)
InChIKey QMBRHDUTTTWWSF-UHFFFAOYSA-N
Mol Weight 497.5 g/mol
Molecular Formula C24H33F6NO3
Exact Mass 497.236463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9slqreEvdHk
Name Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.236462902 u
Formula C24H33F6NO3
InChI InChI=1S/C24H33F6NO3/c1-2-3-4-5-6-7-8-9-13-34-22(33)12-10-11-21(32)31-17-18-14-19(23(25,26)27)16-20(15-18)24(28,29)30/h14-16H,2-13,17H2,1H3,(H,31,32)
InChIKey QMBRHDUTTTWWSF-UHFFFAOYSA-N
Molecular Weight 497.522 g/mol
SMILES CCCCCCCCCCOC(CCCC(NCC1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)=O)=O