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ethanediamide, N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-(1H-indol-5-yl)-

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ethanediamide, N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-(1H-indol-5-yl)-
SpectraBase Compound ID Hxw4ywKw75b
InChI InChI=1S/C16H17N5O2/c22-15(19-5-1-8-21-9-7-17-11-21)16(23)20-13-2-3-14-12(10-13)4-6-18-14/h2-4,6-7,9-11,18H,1,5,8H2,(H,19,22)(H,20,23)
InChIKey JVNCYFLROIATLR-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C16H17N5O2
Exact Mass 311.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Hw84PnDgft
Name Ethanediamide, N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-(1H-indol-5-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.138224805 u
Formula C16H17N5O2
InChI InChI=1S/C16H17N5O2/c22-15(19-5-1-8-21-9-7-17-11-21)16(23)20-13-2-3-14-12(10-13)4-6-18-14/h2-4,6-7,9-11,18H,1,5,8H2,(H,19,22)(H,20,23)
InChIKey JVNCYFLROIATLR-UHFFFAOYSA-N
Molecular Weight 311.345 g/mol
SMILES N(C(C(NC=1C=CC=2NC=CC2C1)=O)=O)CCCN1C=NC=C1