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N~1~-isopentyl-N~2~-[2-(4-methoxyphenyl)ethyl]ethanediamide
SpectraBase Compound ID H8iaW2Rcrjd
InChI InChI=1S/C16H24N2O3/c1-12(2)8-10-17-15(19)16(20)18-11-9-13-4-6-14(21-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKey DISFIOCTHDXDNN-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C16H24N2O3
Exact Mass 292.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJfpvlTkSnC
Name N~1~-Isopentyl-N~2~-[2-(4-methoxyphenyl)ethyl]ethanediamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.178692638 u
Formula C16H24N2O3
InChI InChI=1S/C16H24N2O3/c1-12(2)8-10-17-15(19)16(20)18-11-9-13-4-6-14(21-3)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKey DISFIOCTHDXDNN-UHFFFAOYSA-N
Molecular Weight 292.379 g/mol
SMILES N(C(C(=O)NCCC(C)C)=O)CCC1=CC=C(C=C1)OC