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1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[(2-nitrophenoxy)methyl]-

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

1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[(2-nitrophenoxy)methyl]-
SpectraBase Compound ID BESfai3DQgp
InChI InChI=1S/C16H11N3O6/c20-19(21)11-3-1-2-4-12(11)22-8-15-17-16(18-25-15)10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2
InChIKey SVNIUCJNQZUYQO-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C16H11N3O6
Exact Mass 341.064785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDlV0K3WAOS
Name 1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[(2-nitrophenoxy)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.064785080 u
Formula C16H11N3O6
InChI InChI=1S/C16H11N3O6/c20-19(21)11-3-1-2-4-12(11)22-8-15-17-16(18-25-15)10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2
InChIKey SVNIUCJNQZUYQO-UHFFFAOYSA-N
Molecular Weight 341.279 g/mol
SMILES C=1C2=C(C=CC1C1=NOC(=N1)COC=1C(=CC=CC1)N(=O)=O)OCO2