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Sarcosine, N-(2-trifluoromethylbenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-(2-trifluoromethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID E9AB9GQm9pL
InChI InChI=1S/C28H44F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-35-26(33)23-32(2)27(34)24-20-17-18-21-25(24)28(29,30)31/h17-18,20-21H,3-16,19,22-23H2,1-2H3
InChIKey PBQJSQSEIVZRBI-UHFFFAOYSA-N
Mol Weight 499.7 g/mol
Molecular Formula C28H44F3NO3
Exact Mass 499.327329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Cgmt5juF2
Name Sarcosine, N-(2-trifluoromethylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 499.327328767 u
Formula C28H44F3NO3
InChI InChI=1S/C28H44F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-35-26(33)23-32(2)27(34)24-20-17-18-21-25(24)28(29,30)31/h17-18,20-21H,3-16,19,22-23H2,1-2H3
InChIKey PBQJSQSEIVZRBI-UHFFFAOYSA-N
Molecular Weight 499.659 g/mol
SMILES C1(=CC=CC=C1C(N(CC(OCCCCCCCCCCCCCCCCC)=O)C)=O)C(F)(F)F