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1-(4-Fluorobenzoyl)-4-hydroxyproline, 2tms
SpectraBase Compound ID D4MBeL9G76
InChI InChI=1S/C18H28FNO4Si2/c1-25(2,3)23-15-11-16(18(22)24-26(4,5)6)20(12-15)17(21)13-7-9-14(19)10-8-13/h7-10,15-16H,11-12H2,1-6H3
InChIKey HBPCVIAXPRCIDI-UHFFFAOYSA-N
Mol Weight 397.59 g/mol
Molecular Formula C18H28FNO4Si2
Exact Mass 397.15409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuzdXHgll7z
Name 1-(4-Fluorobenzoyl)-4-hydroxyproline, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 397.154089615 u
Formula C18H28FNO4Si2
InChI InChI=1S/C18H28FNO4Si2/c1-25(2,3)23-15-11-16(18(22)24-26(4,5)6)20(12-15)17(21)13-7-9-14(19)10-8-13/h7-10,15-16H,11-12H2,1-6H3
InChIKey HBPCVIAXPRCIDI-UHFFFAOYSA-N
Molecular Weight 397.593 g/mol
SMILES C1(F)=CC=C(C=C1)C(=O)N1C(CC(C1)O[Si](C)(C)C)C(=O)O[Si](C)(C)C