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(2E)-2-(1,3-benzothiazol-2-yl)-3-(1-benzyl-1H-indol-3-yl)-2-propenenitrile

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(2E)-2-(1,3-benzothiazol-2-yl)-3-(1-benzyl-1H-indol-3-yl)-2-propenenitrile
SpectraBase Compound ID JmfloKnOMMe
InChI InChI=1S/C25H17N3S/c26-15-19(25-27-22-11-5-7-13-24(22)29-25)14-20-17-28(16-18-8-2-1-3-9-18)23-12-6-4-10-21(20)23/h1-14,17H,16H2/b19-14+
InChIKey PGSAGUVWAKRRTP-XMHGGMMESA-N
Mol Weight 391.49 g/mol
Molecular Formula C25H17N3S
Exact Mass 391.114319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQFFKTYGxoW
Name (2E)-2-(1,3-Benzothiazol-2-yl)-3-(1-benzyl-1H-indol-3-yl)-2-propenenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.114318733 u
Formula C25H17N3S
InChI InChI=1S/C25H17N3S/c26-15-19(25-27-22-11-5-7-13-24(22)29-25)14-20-17-28(16-18-8-2-1-3-9-18)23-12-6-4-10-21(20)23/h1-14,17H,16H2/b19-14+
InChIKey PGSAGUVWAKRRTP-XMHGGMMESA-N
Molecular Weight 391.492 g/mol
SMILES C1(\C(=C\C2=CN(CC=3C=CC=CC3)C=3C2=CC=CC3)C#N)=NC2=CC=CC=C2S1