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ethanediamide, N~1~-[(2-methoxyphenyl)methyl]-N~2~-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
SpectraBase Compound ID EBeMrAPoOPY
InChI InChI=1S/C19H19N5O3/c1-27-17-5-3-2-4-15(17)10-21-18(25)19(26)23-16-8-6-14(7-9-16)11-24-13-20-12-22-24/h2-9,12-13H,10-11H2,1H3,(H,21,25)(H,23,26)
InChIKey MKXXMTJSCOLHQV-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C19H19N5O3
Exact Mass 365.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gi6Lkuxy8M
Name Ethanediamide, N~1~-[(2-methoxyphenyl)methyl]-N~2~-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.148789489 u
Formula C19H19N5O3
InChI InChI=1S/C19H19N5O3/c1-27-17-5-3-2-4-15(17)10-21-18(25)19(26)23-16-8-6-14(7-9-16)11-24-13-20-12-22-24/h2-9,12-13H,10-11H2,1H3,(H,21,25)(H,23,26)
InChIKey MKXXMTJSCOLHQV-UHFFFAOYSA-N
Molecular Weight 365.393 g/mol
SMILES N(C(C(NC1=CC=C(CN2N=CN=C2)C=C1)=O)=O)CC=1C(OC)=CC=CC1