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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanyl-acetamide

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanyl-acetamide
SpectraBase Compound ID GClSHJLMqKT
InChI InChI=1S/C25H21N3O3S/c29-24(27-19-11-12-22-23(15-19)31-14-13-30-22)17-32-25-26-16-21(18-7-3-1-4-8-18)28(25)20-9-5-2-6-10-20/h1-12,15-16H,13-14,17H2,(H,27,29)
InChIKey DRGSFJBTKWLOCE-UHFFFAOYSA-N
Mol Weight 443.52 g/mol
Molecular Formula C25H21N3O3S
Exact Mass 443.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WHfwRmJgnP
Name N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanyl-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 443.130362719 u
Formula C25H21N3O3S
InChI InChI=1S/C25H21N3O3S/c29-24(27-19-11-12-22-23(15-19)31-14-13-30-22)17-32-25-26-16-21(18-7-3-1-4-8-18)28(25)20-9-5-2-6-10-20/h1-12,15-16H,13-14,17H2,(H,27,29)
InChIKey DRGSFJBTKWLOCE-UHFFFAOYSA-N
Molecular Weight 443.521 g/mol
SMILES C1(=CN=C(N1C1=CC=CC=C1)SCC(=O)NC=1C=CC2=C(C1)OCCO2)C1=CC=CC=C1