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1H-indole-3-ethanamine, N-[[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]phenylmethyl]-2-methyl-
SpectraBase Compound ID 32Rujbs6qrG
InChI InChI=1S/C27H28N6/c1-18-10-9-11-19(2)26(18)33-27(30-31-32-33)25(21-12-5-4-6-13-21)28-17-16-22-20(3)29-24-15-8-7-14-23(22)24/h4-15,25,28-29H,16-17H2,1-3H3
InChIKey SMDVWBAYVKXVJY-UHFFFAOYSA-N
Mol Weight 436.56 g/mol
Molecular Formula C27H28N6
Exact Mass 436.237545 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L64qM3Xk8Ez
Name 1H-indole-3-ethanamine, N-[[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]phenylmethyl]-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 436.237544926 u
Formula C27H28N6
InChI InChI=1S/C27H28N6/c1-18-10-9-11-19(2)26(18)33-27(30-31-32-33)25(21-12-5-4-6-13-21)28-17-16-22-20(3)29-24-15-8-7-14-23(22)24/h4-15,25,28-29H,16-17H2,1-3H3
InChIKey SMDVWBAYVKXVJY-UHFFFAOYSA-N
Molecular Weight 436.563 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18397
Solvent DMSO-d6
Source Vendor ID: NMR/11260396; Lab Info: NP-tr; Lab Number: NP-tr000004