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Sarcosine, N-pentafluorobenzoyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-pentafluorobenzoyl-, heptadecyl ester
SpectraBase Compound ID 8YRoauKM9QY
InChI InChI=1S/C27H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-20(34)19-33(2)27(35)21-22(28)24(30)26(32)25(31)23(21)29/h3-19H2,1-2H3
InChIKey RIOWCAZMJMHIBB-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C27H40F5NO3
Exact Mass 521.292835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97LmY3MHOFR
Name Sarcosine, N-pentafluorobenzoyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 521.292834964 u
Formula C27H40F5NO3
InChI InChI=1S/C27H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-20(34)19-33(2)27(35)21-22(28)24(30)26(32)25(31)23(21)29/h3-19H2,1-2H3
InChIKey RIOWCAZMJMHIBB-UHFFFAOYSA-N
Molecular Weight 521.613 g/mol
SMILES C(CCCOC(CN(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)C)=O)CCCCCCCCCCCCC