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3-{[(4-fluorobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

View entire compound with spectra: 2 NMR

3-{[(4-fluorobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 4evcDL9jaJp
InChI InChI=1S/C15H16FNO4/c16-9-3-1-8(2-4-9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-4,10-13H,5-7H2,(H,17,18)(H,19,20)/t10-,11+,12+,13+/m0/s1
InChIKey DQLLUVBHRLNJGL-UMSGYPCISA-N
Mol Weight 293.29 g/mol
Molecular Formula C15H16FNO4
Exact Mass 293.106336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtdxUX8dlll
Name 3-{[(4-fluorobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.106336158 u
Formula C15H16FNO4
InChI InChI=1S/C15H16FNO4/c16-9-3-1-8(2-4-9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-4,10-13H,5-7H2,(H,17,18)(H,19,20)/t10-,11+,12+,13+/m0/s1
InChIKey DQLLUVBHRLNJGL-UMSGYPCISA-N
Molecular Weight 293.294 g/mol
SMILES OC([C@]1([C@](C(NCC=2C=CC(F)=CC2)=O)([C@]2(O[C@@]1(CC2)[H])[H])[H])[H])=O