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5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
SpectraBase Compound ID 2CXD4FW3g48
InChI InChI=1S/C17H14N4S/c22-17-18-16-15(19-20-17)13-8-4-5-9-14(13)21(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20,22)
InChIKey JZMKJONDRDUVGT-UHFFFAOYSA-N
Mol Weight 306.39 g/mol
Molecular Formula C17H14N4S
Exact Mass 306.093918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DEBtOrgotxv
Name 5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
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/C17H14N4S/c22-17-18-16-15(19-20-17)13-8-4-5-9-14(13)21(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20,22)
InChIKey JZMKJONDRDUVGT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13059
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: D79848; Labnumber: RRDV-936; SBI_ID: SBI-013062
Synonyms 5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Temperature 315 °C