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1H-indole-3-ethanaminium, 5-carboxy-2-methyl-, chloride

View entire compound with spectra: 3 NMR

1H-indole-3-ethanaminium, 5-carboxy-2-methyl-, chloride
SpectraBase Compound ID IjYgwjJdHpH
InChI InChI=1S/C12H14N2O2.ClH/c1-7-9(4-5-13)10-6-8(12(15)16)2-3-11(10)14-7;/h2-3,6,14H,4-5,13H2,1H3,(H,15,16);1H
InChIKey VNOLGCCLEWPFGP-UHFFFAOYSA-N
Mol Weight 254.72 g/mol
Molecular Formula C12H15ClN2O2
Exact Mass 254.082205 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Cpr3UYEcUw
Name 1H-indole-3-ethanaminium, 5-carboxy-2-methyl-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.082205429 u
Formula C12H15ClN2O2
InChI InChI=1S/C12H14N2O2.ClH/c1-7-9(4-5-13)10-6-8(12(15)16)2-3-11(10)14-7;/h2-3,6,14H,4-5,13H2,1H3,(H,15,16);1H
InChIKey VNOLGCCLEWPFGP-UHFFFAOYSA-N
Molecular Weight 254.717 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4055
Solvent DMSO-d6
Source Vendor ID: NMR/9301480; Lab Info:MGU_AMG