2,2-bis[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-phenylethanone

SpectraBase Compound ID	GIugu7aMDDW
InChI	InChI=1S/C14H12N12OS2/c15-23-6-17-25-11(23)19-21-13(25)28-10(9(27)8-4-2-1-3-5-8)29-14-22-20-12-24(16)7-18-26(12)14/h1-7,10H,15-16H2
InChIKey	DKPXQDYXLOAYNH-UHFFFAOYSA-N Google Search
Mol Weight	428.45 g/mol
Molecular Formula	C14H12N12OS2
Exact Mass	428.069845 g/mol

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SpectraBase Spectrum ID	7rQinNbeGNZ
Name	2,2-bis[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-phenylethanone
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/C14H12N12OS2/c15-23-6-17-25-11(23)19-21-13(25)28-10(9(27)8-4-2-1-3-5-8)29-14-22-20-12-24(16)7-18-26(12)14/h1-7,10H,15-16H2
InChIKey	DKPXQDYXLOAYNH-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_4024
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: NMR/8251480; Labnumber: L-42/0002334; IOH_ID: IOH-004025
Temperature	297 °C