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3-{[4-(2-Fluorophenyl)-1-piperazinyl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

View entire compound with spectra: 2 NMR

3-{[4-(2-Fluorophenyl)-1-piperazinyl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 14o4f5Dhzs8
InChI InChI=1S/C18H21FN2O4/c19-11-3-1-2-4-12(11)20-7-9-21(10-8-20)17(22)15-13-5-6-14(25-13)16(15)18(23)24/h1-4,13-16H,5-10H2,(H,23,24)/t13-,14+,15+,16+/m0/s1
InChIKey YIHVHEGAAFLWJZ-ZJIFWQFVSA-N
Mol Weight 348.37 g/mol
Molecular Formula C18H21FN2O4
Exact Mass 348.148535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Kb5CPlWls5
Name 3-{[4-(2-Fluorophenyl)-1-piperazinyl]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 348.148535323 u
Formula C18H21FN2O4
InChI InChI=1S/C18H21FN2O4/c19-11-3-1-2-4-12(11)20-7-9-21(10-8-20)17(22)15-13-5-6-14(25-13)16(15)18(23)24/h1-4,13-16H,5-10H2,(H,23,24)/t13-,14+,15+,16+/m0/s1
InChIKey YIHVHEGAAFLWJZ-ZJIFWQFVSA-N
Molecular Weight 348.374 g/mol
SMILES OC([C@]1([C@](C(N2CCN(CC2)C2=C(F)C=CC=C2)=O)([C@]2(O[C@@]1(CC2)[H])[H])[H])[H])=O