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.beta.-Alanine, N-heptafluorobutyryl-, dodecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-heptafluorobutyryl-, dodecyl ester
SpectraBase Compound ID DXtySTKvVqn
InChI InChI=1S/C19H30F7NO3/c1-2-3-4-5-6-7-8-9-10-11-14-30-15(28)12-13-27-16(29)17(20,21)18(22,23)19(24,25)26/h2-14H2,1H3,(H,27,29)
InChIKey GMOYZXQSNFWOMT-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C19H30F7NO3
Exact Mass 453.211391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kg0S3LKdOs5
Name .beta.-Alanine, N-heptafluorobutyryl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.211390968 u
Formula C19H30F7NO3
InChI InChI=1S/C19H30F7NO3/c1-2-3-4-5-6-7-8-9-10-11-14-30-15(28)12-13-27-16(29)17(20,21)18(22,23)19(24,25)26/h2-14H2,1H3,(H,27,29)
InChIKey GMOYZXQSNFWOMT-UHFFFAOYSA-N
Molecular Weight 453.442 g/mol
SMILES CCCCCCCCCCCCOC(CCNC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O