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

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-isoxazolecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-
SpectraBase Compound ID 8YaZFqtmsK2
InChI InChI=1S/C19H16N2O5/c1-23-14-5-3-13(4-6-14)15-9-18(26-21-15)19(22)20-10-12-2-7-16-17(8-12)25-11-24-16/h2-9H,10-11H2,1H3,(H,20,22)
InChIKey JOZUFWCIONSRPR-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C19H16N2O5
Exact Mass 352.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 172IKDoiAjO
Name 5-Isoxazolecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.105921618 u
Formula C19H16N2O5
InChI InChI=1S/C19H16N2O5/c1-23-14-5-3-13(4-6-14)15-9-18(26-21-15)19(22)20-10-12-2-7-16-17(8-12)25-11-24-16/h2-9H,10-11H2,1H3,(H,20,22)
InChIKey JOZUFWCIONSRPR-UHFFFAOYSA-N
Molecular Weight 352.346 g/mol
SMILES C=1C=C(C=CC1C=1C=C(ON1)C(=O)NCC=1C=C2C(=CC1)OCO2)OC