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

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Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, tridecyl ester
SpectraBase Compound ID KHvBCHsswQ7
InChI InChI=1S/C27H39F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-37-25(36)15-13-14-24(35)34-20-21-17-22(26(28,29)30)19-23(18-21)27(31,32)33/h17-19H,2-16,20H2,1H3,(H,34,35)
InChIKey BUPGDKPBZNVDCX-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C27H39F6NO3
Exact Mass 539.283413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmbmTqyJJuL
Name Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.283413095 u
Formula C27H39F6NO3
InChI InChI=1S/C27H39F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-37-25(36)15-13-14-24(35)34-20-21-17-22(26(28,29)30)19-23(18-21)27(31,32)33/h17-19H,2-16,20H2,1H3,(H,34,35)
InChIKey BUPGDKPBZNVDCX-UHFFFAOYSA-N
Molecular Weight 539.603 g/mol
SMILES CCCCCCCCCCCCCOC(CCCC(NCC1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)=O)=O