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L-Alanine, N-(3-fluorobenzoyl)-, undec-10-enyl ester
SpectraBase Compound ID 8ztVIXLOOIq
InChI InChI=1S/C21H30FNO3/c1-3-4-5-6-7-8-9-10-11-15-26-21(25)17(2)23-20(24)18-13-12-14-19(22)16-18/h3,12-14,16-17H,1,4-11,15H2,2H3,(H,23,24)
InChIKey BONIHZHBSQVUJW-UHFFFAOYSA-N
Mol Weight 363.47 g/mol
Molecular Formula C21H30FNO3
Exact Mass 363.220972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUX9S2tyO1J
Name L-Alanine, N-(3-fluorobenzoyl)-, undec-10-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.220971990 u
Formula C21H30FNO3
InChI InChI=1S/C21H30FNO3/c1-3-4-5-6-7-8-9-10-11-15-26-21(25)17(2)23-20(24)18-13-12-14-19(22)16-18/h3,12-14,16-17H,1,4-11,15H2,2H3,(H,23,24)
InChIKey BONIHZHBSQVUJW-UHFFFAOYSA-N
Molecular Weight 363.473 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCCCCCCCC=C)=O)C)=O)F