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L-Proline, N-(4-fluorobenzoyl)-, isobutyl ester
SpectraBase Compound ID KYGalrlnss9
InChI InChI=1S/C16H20FNO3/c1-11(2)10-21-16(20)14-4-3-9-18(14)15(19)12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKey CINYQPFMGPUKDC-UHFFFAOYSA-N
Mol Weight 293.34 g/mol
Molecular Formula C16H20FNO3
Exact Mass 293.142722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvgIPxUKOUE
Name L-Proline, N-(4-fluorobenzoyl)-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 293.142721668 u
Formula C16H20FNO3
InChI InChI=1S/C16H20FNO3/c1-11(2)10-21-16(20)14-4-3-9-18(14)15(19)12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKey CINYQPFMGPUKDC-UHFFFAOYSA-N
Molecular Weight 293.338 g/mol
SMILES C1(CCCN1C(=O)C1=CC=C(C=C1)F)C(=O)OCC(C)C