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1H-indole-3-ethanaminium, 2-methyl-7-(trifluoromethyl)-, chloride

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1H-indole-3-ethanaminium, 2-methyl-7-(trifluoromethyl)-, chloride
SpectraBase Compound ID BWk39jD1Tww
InChI InChI=1S/C12H13F3N2.ClH/c1-7-8(5-6-16)9-3-2-4-10(11(9)17-7)12(13,14)15;/h2-4,17H,5-6,16H2,1H3;1H
InChIKey XNDORQLPOLINRM-UHFFFAOYSA-N
Mol Weight 278.71 g/mol
Molecular Formula C12H14ClF3N2
Exact Mass 278.079761 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CaRJJluBvkn
Name 1H-indole-3-ethanaminium, 2-methyl-7-(trifluoromethyl)-, chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H13F3N2.ClH/c1-7-8(5-6-16)9-3-2-4-10(11(9)17-7)12(13,14)15;/h2-4,17H,5-6,16H2,1H3;1H
InChIKey XNDORQLPOLINRM-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7612
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZERO/001640; IOH_ID: IOH-014616