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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, isohexyl ester
SpectraBase Compound ID CYggHwhWPOl
InChI InChI=1S/C19H23F4NO3/c1-12(2)5-4-8-27-18(26)16-6-3-7-24(16)17(25)13-9-14(19(21,22)23)11-15(20)10-13/h9-12,16H,3-8H2,1-2H3
InChIKey NHAVKWKDPRSDKB-UHFFFAOYSA-N
Mol Weight 389.39 g/mol
Molecular Formula C19H23F4NO3
Exact Mass 389.161406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMXRKH8ikeK
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.161406254 u
Formula C19H23F4NO3
InChI InChI=1S/C19H23F4NO3/c1-12(2)5-4-8-27-18(26)16-6-3-7-24(16)17(25)13-9-14(19(21,22)23)11-15(20)10-13/h9-12,16H,3-8H2,1-2H3
InChIKey NHAVKWKDPRSDKB-UHFFFAOYSA-N
Molecular Weight 389.391 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(OCCCC(C)C)=O)=O)C(F)(F)F