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Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID 7ykmP7FBPuw
InChI InChI=1S/C28H44F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-26(33)23-32(2)27(34)24-18-20-25(21-19-24)28(29,30)31/h18-21H,3-17,22-23H2,1-2H3
InChIKey WGISACAPDJQNGU-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 HzFrfIUTWDf
Name Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 499.327328767 u
Formula C28H44F3NO3
InChI InChI=1S/C28H44F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-26(33)23-32(2)27(34)24-18-20-25(21-19-24)28(29,30)31/h18-21H,3-17,22-23H2,1-2H3
InChIKey WGISACAPDJQNGU-UHFFFAOYSA-N
Molecular Weight 499.659 g/mol
SMILES C(CCCCOC(CN(C(=O)C1=CC=C(C=C1)C(F)(F)F)C)=O)CCCCCCCCCCCC