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5-isoxazolecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-

View entire compound with spectra: 2 NMR

5-isoxazolecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-
SpectraBase Compound ID In2nDb30s8R
InChI InChI=1S/C18H13FN2O4/c19-13-4-2-12(3-5-13)14-8-17(25-21-14)18(22)20-9-11-1-6-15-16(7-11)24-10-23-15/h1-8H,9-10H2,(H,20,22)
InChIKey ZSPOPKVWDNUULX-UHFFFAOYSA-N
Mol Weight 340.31 g/mol
Molecular Formula C18H13FN2O4
Exact Mass 340.085935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPEaowGV2Pe
Name 5-Isoxazolecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.085935066 u
Formula C18H13FN2O4
InChI InChI=1S/C18H13FN2O4/c19-13-4-2-12(3-5-13)14-8-17(25-21-14)18(22)20-9-11-1-6-15-16(7-11)24-10-23-15/h1-8H,9-10H2,(H,20,22)
InChIKey ZSPOPKVWDNUULX-UHFFFAOYSA-N
Molecular Weight 340.310 g/mol
SMILES N(C(C1=CC(C2=CC=C(C=C2)F)=NO1)=O)CC=1C=C2OCOC2=CC1