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

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Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, hexadecyl ester
SpectraBase Compound ID 9VTE4mt4RBO
InChI InChI=1S/C30H45F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-40-28(39)18-16-17-27(38)37-23-24-20-25(29(31,32)33)22-26(21-24)30(34,35)36/h20-22H,2-19,23H2,1H3,(H,37,38)
InChIKey YBVRBHPRQHDVOU-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C30H45F6NO3
Exact Mass 581.330363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzDRaCYp0BE
Name Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 581.330363288 u
Formula C30H45F6NO3
InChI InChI=1S/C30H45F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-40-28(39)18-16-17-27(38)37-23-24-20-25(29(31,32)33)22-26(21-24)30(34,35)36/h20-22H,2-19,23H2,1H3,(H,37,38)
InChIKey YBVRBHPRQHDVOU-UHFFFAOYSA-N
Molecular Weight 581.684 g/mol
SMILES CCCCCCCCCCCCCCCCOC(CCCC(NCC1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)=O)=O