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5-{2-[Phenyl-indol-3-yl]-ethenyl}(3-methyl-4-nitro)isoxazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-{2-[Phenyl-indol-3-yl]-ethenyl}(3-methyl-4-nitro)isoxazole
SpectraBase Compound ID JvaHXJOdbpP
InChI InChI=1S/C20H15N3O3/c1-13-20(23(24)25)18(26-22-13)12-11-16-15-9-5-6-10-17(15)21-19(16)14-7-3-2-4-8-14/h2-12,21H,1H3/b12-11+
InChIKey DPOVTZJZXZRBHB-VAWYXSNFSA-N
Mol Weight 345.36 g/mol
Molecular Formula C20H15N3O3
Exact Mass 345.111341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEqgihhMMLX
Name 5-{2-[Phenyl-indol-3-yl]-ethenyl}(3-methyl-4-nitro)isoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.111341352 u
Formula C20H15N3O3
InChI InChI=1S/C20H15N3O3/c1-13-20(23(24)25)18(26-22-13)12-11-16-15-9-5-6-10-17(15)21-19(16)14-7-3-2-4-8-14/h2-12,21H,1H3/b12-11+
InChIKey DPOVTZJZXZRBHB-VAWYXSNFSA-N
Molecular Weight 345.358 g/mol
SMILES C1(N(=O)=O)=C(ON=C1C)\C=C\C1=C(NC2=C1C=CC=C2)C=1C=CC=CC1