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1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[2-(4-methoxyphenyl)ethyl]-
SpectraBase Compound ID 4Hwu1m00teL
InChI InChI=1S/C18H16N2O4/c1-21-14-6-2-12(3-7-14)4-9-17-19-18(20-24-17)13-5-8-15-16(10-13)23-11-22-15/h2-3,5-8,10H,4,9,11H2,1H3
InChIKey HQGHZKLEXFFEKD-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C18H16N2O4
Exact Mass 324.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cvsKJxClTd
Name 1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[2-(4-methoxyphenyl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.111006999 u
Formula C18H16N2O4
InChI InChI=1S/C18H16N2O4/c1-21-14-6-2-12(3-7-14)4-9-17-19-18(20-24-17)13-5-8-15-16(10-13)23-11-22-15/h2-3,5-8,10H,4,9,11H2,1H3
InChIKey HQGHZKLEXFFEKD-UHFFFAOYSA-N
Molecular Weight 324.336 g/mol
SMILES C1=C2C(=CC=C1C1=NOC(=N1)CCC1=CC=C(C=C1)OC)OCO2