ethanol, 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]thio]-, benzoate (ester)

SpectraBase Compound ID	7cNfpI6RiDp
InChI	InChI=1S/C16H21N5O2S/c1-3-17-14-19-15(18-4-2)21-16(20-14)24-11-10-23-13(22)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,19,20,21)
InChIKey	MUODJIXOHLXKDE-UHFFFAOYSA-N Google Search
Mol Weight	347.44 g/mol
Molecular Formula	C16H21N5O2S
Exact Mass	347.141596 g/mol

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SpectraBase Spectrum ID	IJYe02XPtJg
Name	ethanol, 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]thio]-, benzoate (ester)
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/C16H21N5O2S/c1-3-17-14-19-15(18-4-2)21-16(20-14)24-11-10-23-13(22)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,19,20,21)
InChIKey	MUODJIXOHLXKDE-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_3460
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/11249403