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Sarcosine, N-pentafluorobenzoyl-, octadecyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-pentafluorobenzoyl-, octadecyl ester
SpectraBase Compound ID IwZ3hGH5oJI
InChI InChI=1S/C28H42F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-21(35)20-34(2)28(36)22-23(29)25(31)27(33)26(32)24(22)30/h3-20H2,1-2H3
InChIKey UTIHMRHCEPEWFG-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C28H42F5NO3
Exact Mass 535.308485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9FMjnViuxx
Name Sarcosine, N-pentafluorobenzoyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 535.308485028 u
Formula C28H42F5NO3
InChI InChI=1S/C28H42F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-21(35)20-34(2)28(36)22-23(29)25(31)27(33)26(32)24(22)30/h3-20H2,1-2H3
InChIKey UTIHMRHCEPEWFG-UHFFFAOYSA-N
Molecular Weight 535.640 g/mol
SMILES C(CCCCCOC(CN(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)C)=O)CCCCCCCCCCCC