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1H-indole-3-ethanamine, N-[(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl]-2-methyl-
SpectraBase Compound ID LnVIHbcN37f
InChI InChI=1S/C27H26Cl2N6/c1-16-7-6-8-17(2)26(16)35-27(32-33-34-35)25(22-12-11-19(28)15-23(22)29)30-14-13-20-18(3)31-24-10-5-4-9-21(20)24/h4-12,15,25,30-31H,13-14H2,1-3H3
InChIKey DXVNAFYMHMNQCU-UHFFFAOYSA-N
Mol Weight 505.45 g/mol
Molecular Formula C27H26Cl2N6
Exact Mass 504.1596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7HHUFFTf4LK
Name 1H-indole-3-ethanamine, N-[(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl]-2-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.159600261 u
Formula C27H26Cl2N6
InChI InChI=1S/C27H26Cl2N6/c1-16-7-6-8-17(2)26(16)35-27(32-33-34-35)25(22-12-11-19(28)15-23(22)29)30-14-13-20-18(3)31-24-10-5-4-9-21(20)24/h4-12,15,25,30-31H,13-14H2,1-3H3
InChIKey DXVNAFYMHMNQCU-UHFFFAOYSA-N
Molecular Weight 505.453 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18398
Solvent DMSO-d6
Source Vendor ID: NMR/11260397; Lab Info: NP-tr; Lab Number: NP-tr000005