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Sarcosine, N-pentafluorobenzoyl-, dodecyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-pentafluorobenzoyl-, dodecyl ester
SpectraBase Compound ID 3vzwuA8lyrk
InChI InChI=1S/C22H30F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-31-15(29)14-28(2)22(30)16-17(23)19(25)21(27)20(26)18(16)24/h3-14H2,1-2H3
InChIKey DUPNDXBNTXNZHD-UHFFFAOYSA-N
Mol Weight 451.48 g/mol
Molecular Formula C22H30F5NO3
Exact Mass 451.214585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2e4JYiIo2O9
Name Sarcosine, N-pentafluorobenzoyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.214584642 u
Formula C22H30F5NO3
InChI InChI=1S/C22H30F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-31-15(29)14-28(2)22(30)16-17(23)19(25)21(27)20(26)18(16)24/h3-14H2,1-2H3
InChIKey DUPNDXBNTXNZHD-UHFFFAOYSA-N
Molecular Weight 451.478 g/mol
SMILES C(CCCCOC(CN(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)C)=O)CCCCCCC