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D-Allylglycine, N-heptafluorobutyryl-, heptadecyl ester
SpectraBase Compound ID 7u1THejsnkY
InChI InChI=1S/C26H42F7NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-37-22(35)21(19-4-2)34-23(36)24(27,28)25(29,30)26(31,32)33/h4,21H,2-3,5-20H2,1H3,(H,34,36)
InChIKey GYXWLSGXYRNBKJ-UHFFFAOYSA-N
Mol Weight 549.6 g/mol
Molecular Formula C26H42F7NO3
Exact Mass 549.305291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JIE0dlm2o9
Name D-Allylglycine, N-heptafluorobutyryl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 549.305291354 u
Formula C26H42F7NO3
InChI InChI=1S/C26H42F7NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-37-22(35)21(19-4-2)34-23(36)24(27,28)25(29,30)26(31,32)33/h4,21H,2-3,5-20H2,1H3,(H,34,36)
InChIKey GYXWLSGXYRNBKJ-UHFFFAOYSA-N
Molecular Weight 549.615 g/mol
SMILES C(CCCCCCCCOC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC=C)=O)CCCCCCCC