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L-Alanine, N-(heptafluorobutyryl)-, undec-10-enyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(heptafluorobutyryl)-, undec-10-enyl ester
SpectraBase Compound ID 5caovafucPJ
InChI InChI=1S/C18H26F7NO3/c1-3-4-5-6-7-8-9-10-11-12-29-14(27)13(2)26-15(28)16(19,20)17(21,22)18(23,24)25/h3,13H,1,4-12H2,2H3,(H,26,28)
InChIKey ALTBZBCQRUWCIA-UHFFFAOYSA-N
Mol Weight 437.4 g/mol
Molecular Formula C18H26F7NO3
Exact Mass 437.180091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jakUlnk9NP
Name L-Alanine, N-(heptafluorobutyryl)-, undec-10-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.180090839 u
Formula C18H26F7NO3
InChI InChI=1S/C18H26F7NO3/c1-3-4-5-6-7-8-9-10-11-12-29-14(27)13(2)26-15(28)16(19,20)17(21,22)18(23,24)25/h3,13H,1,4-12H2,2H3,(H,26,28)
InChIKey ALTBZBCQRUWCIA-UHFFFAOYSA-N
Molecular Weight 437.399 g/mol
SMILES C=CCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C)=O