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 Google Search
Mol Weight	326.81 g/mol
Molecular Formula	C16H11ClN4S
Exact Mass	326.039295 g/mol

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SpectraBase Spectrum ID	ntdeqTe3IC
Name	5H-[1,2,4]triazino[5,6-b]indole, 3-[[(4-chlorophenyl)methyl]thio]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	326.039295244 u
Formula	C16H11ClN4S
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
Molecular Weight	326.805 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_1773
Solvent	DMSO-d6
Source	Vendor ID: ZI/8163344; Lab Info: NKS; Lab Number: NKS-0000037
Temperature	29.85 °C