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N-[(2,4-dichlorophenyl)-[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-(2-methyl-1H-indol-3-yl)ethanamine
SpectraBase Compound ID 7o4zllTAGeD
InChI InChI=1S/C26H24Cl2N6O/c1-16-20(21-5-3-4-6-24(21)30-16)13-14-29-25(22-12-7-17(27)15-23(22)28)26-31-32-33-34(26)18-8-10-19(35-2)11-9-18/h3-12,15,25,29-30H,13-14H2,1-2H3
InChIKey MMJLJYXZPQGQGS-UHFFFAOYSA-N
Mol Weight 507.43 g/mol
Molecular Formula C26H24Cl2N6O
Exact Mass 506.138865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDcSswydzh3
Name N-[(2,4-Dichlorophenyl)-[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-(2-methyl-1H-indol-3-yl)ethanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.138864816 u
Formula C26H24Cl2N6O
InChI InChI=1S/C26H24Cl2N6O/c1-16-20(21-5-3-4-6-24(21)30-16)13-14-29-25(22-12-7-17(27)15-23(22)28)26-31-32-33-34(26)18-8-10-19(35-2)11-9-18/h3-12,15,25,29-30H,13-14H2,1-2H3
InChIKey MMJLJYXZPQGQGS-UHFFFAOYSA-N
Molecular Weight 507.425 g/mol
SMILES C=1(N(N=NN1)C1=CC=C(C=C1)OC)C(C=1C(=CC(=CC1)Cl)Cl)NCCC1=C(NC=2C1=CC=CC2)C