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2-{[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl]sulfanyl}ethanaminium chloride
SpectraBase Compound ID 7dXzTdw6nYg
InChI InChI=1S/C14H17N3O3S.ClH/c1-10(18)16-8-12(11-4-2-3-5-13(11)16)14(9-17(19)20)21-7-6-15;/h2-5,8,14H,6-7,9,15H2,1H3;1H
InChIKey JRZWHLCXWQWKIT-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C14H18ClN3O3S
Exact Mass 343.07574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8phP5CAILvu
Name 2-{[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl]sulfanyl}ethanaminium 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/C14H17N3O3S.ClH/c1-10(18)16-8-12(11-4-2-3-5-13(11)16)14(9-17(19)20)21-7-6-15;/h2-5,8,14H,6-7,9,15H2,1H3;1H
InChIKey JRZWHLCXWQWKIT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28949
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: D90501; Labnumber: PRZHI-0117; SBI_ID: SBI-028953
Temperature 315 °C