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

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Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, octadecyl ester
SpectraBase Compound ID HdYddmSwZEy
InChI InChI=1S/C32H49F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-42-30(41)20-18-19-29(40)39-25-26-22-27(31(33,34)35)24-28(23-26)32(36,37)38/h22-24H,2-21,25H2,1H3,(H,39,40)
InChIKey IYHLWWWOLUDZEY-UHFFFAOYSA-N
Mol Weight 609.7 g/mol
Molecular Formula C32H49F6NO3
Exact Mass 609.361663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2s4zfMSScI5
Name Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.361663417 u
Formula C32H49F6NO3
InChI InChI=1S/C32H49F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-42-30(41)20-18-19-29(40)39-25-26-22-27(31(33,34)35)24-28(23-26)32(36,37)38/h22-24H,2-21,25H2,1H3,(H,39,40)
InChIKey IYHLWWWOLUDZEY-UHFFFAOYSA-N
Molecular Weight 609.738 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(CCCC(NCC1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)=O)=O