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4-(3-Fluorophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

View entire compound with spectra: 2 NMR

4-(3-Fluorophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
SpectraBase Compound ID 6etALxtSdWH
InChI InChI=1S/C14H12FNO3/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(19-9)12(11)14(16)18/h1-3,6,9-12H,4-5H2/t9-,10+,11-,12+
InChIKey NPACSOMNMYSVDQ-BKUVIOGVSA-N
Mol Weight 261.25 g/mol
Molecular Formula C14H12FNO3
Exact Mass 261.080121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im3P4oFm8Ld
Name 4-(3-Fluorophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.080121410 u
Formula C14H12FNO3
InChI InChI=1S/C14H12FNO3/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(19-9)12(11)14(16)18/h1-3,6,9-12H,4-5H2/t9-,10+,11-,12+
InChIKey NPACSOMNMYSVDQ-BKUVIOGVSA-N
Molecular Weight 261.252 g/mol
SMILES C=1C=CC(N2C([C@@]3([C@]4(CC[C@@]([C@]3(C2=O)[H])(O4)[H])[H])[H])=O)=CC1F