4-[4-(aminocarbonyl)phenyl]-2,6-ditert-butylthiopyrylium perchlorate

SpectraBase Compound ID	CzxrWX9ghl4
InChI	InChI=1S/C20H25NOS.ClHO4/c1-19(2,3)16-11-15(12-17(23-16)20(4,5)6)13-7-9-14(10-8-13)18(21)22;2-1(3,4)5/h7-12H,1-6H3,(H-,21,22);(H,2,3,4,5)
InChIKey	JDYMSHKFYRUZIM-UHFFFAOYSA-N Google Search
Mol Weight	427.94 g/mol
Molecular Formula	C20H26ClNO5S
Exact Mass	427.122022 g/mol

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SpectraBase Spectrum ID	4xzsuYHva51
Name	4-[4-(aminocarbonyl)phenyl]-2,6-ditert-butylthiopyrylium perchlorate
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/C20H25NOS.ClHO4/c1-19(2,3)16-11-15(12-17(23-16)20(4,5)6)13-7-9-14(10-8-13)18(21)22;2-1(3,4)5/h7-12H,1-6H3,(H-,21,22);(H,2,3,4,5)
InChIKey	JDYMSHKFYRUZIM-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16391
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: 987/00003752; Labnumber: 987/00003752218845; VK_ID: VK-016396
Temperature	318 °C