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4-chlorobenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide
SpectraBase Compound ID 4VXSuZ85qoa
InChI InChI=1S/C16H11ClN4S/c17-11-7-5-10(6-8-11)9-22-16-19-15-14(20-21-16)12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,18,19,21)
InChIKey XMZKPFHSMJBQKF-UHFFFAOYSA-N
Mol Weight 326.81 g/mol
Molecular Formula C16H11ClN4S
Exact Mass 326.039295 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CpyhtdhoF3g
Name 4-chlorobenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide
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/C16H11ClN4S/c17-11-7-5-10(6-8-11)9-22-16-19-15-14(20-21-16)12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,18,19,21)
InChIKey XMZKPFHSMJBQKF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13988
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: MAY-13/0050; UBI_ID: UBI-013991
Synonyms 3-[(4-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Temperature 318 °C