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

View entire compound with spectra: 1 NMR

Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, heptyl ester
SpectraBase Compound ID yWVy2SCb7v
InChI InChI=1S/C21H27F6NO3/c1-2-3-4-5-6-10-31-19(30)9-7-8-18(29)28-14-15-11-16(20(22,23)24)13-17(12-15)21(25,26)27/h11-13H,2-10,14H2,1H3,(H,28,29)
InChIKey TVXDZLVUAQGOES-UHFFFAOYSA-N
Mol Weight 455.44 g/mol
Molecular Formula C21H27F6NO3
Exact Mass 455.189513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QhEzsksKVv
Name Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.189512708 u
Formula C21H27F6NO3
InChI InChI=1S/C21H27F6NO3/c1-2-3-4-5-6-10-31-19(30)9-7-8-18(29)28-14-15-11-16(20(22,23)24)13-17(12-15)21(25,26)27/h11-13H,2-10,14H2,1H3,(H,28,29)
InChIKey TVXDZLVUAQGOES-UHFFFAOYSA-N
Molecular Weight 455.441 g/mol
SMILES CCCCCCCOC(=O)CCCC(NCC1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)=O