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1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-2-methyl-1H-benzimidazole

View entire compound with spectra: 2 NMR

1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-2-methyl-1H-benzimidazole
SpectraBase Compound ID LwzO2Zu16bC
InChI InChI=1S/C18H14N2O3/c1-12-19-14-4-2-3-5-15(14)20(12)18(21)9-7-13-6-8-16-17(10-13)23-11-22-16/h2-10H,11H2,1H3/b9-7+
InChIKey DTUGFQMQJHTFST-VQHVLOKHSA-N
Mol Weight 306.32 g/mol
Molecular Formula C18H14N2O3
Exact Mass 306.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbAV660V6eZ
Name 1-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]-2-methyl-1H-benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.100442316 u
Formula C18H14N2O3
InChI InChI=1S/C18H14N2O3/c1-12-19-14-4-2-3-5-15(14)20(12)18(21)9-7-13-6-8-16-17(10-13)23-11-22-16/h2-10H,11H2,1H3/b9-7+
InChIKey DTUGFQMQJHTFST-VQHVLOKHSA-N
Molecular Weight 306.321 g/mol
SMILES C=1C=CC=2N(C(=NC2C1)C)C(\C=C\C1=CC=2OCOC2C=C1)=O