2-[(5-benzyl-4,6-dihydroxy-2-pyrimidinyl)sulfanyl]hexanoic acid

SpectraBase Compound ID	8VPCSopd57G
InChI	InChI=1S/C17H20N2O4S/c1-2-3-9-13(16(22)23)24-17-18-14(20)12(15(21)19-17)10-11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3,(H,22,23)(H2,18,19,20,21)
InChIKey	CFLCTLPGOVFOTP-UHFFFAOYSA-N Google Search
Mol Weight	348.42 g/mol
Molecular Formula	C17H20N2O4S
Exact Mass	348.114378 g/mol

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SpectraBase Spectrum ID	1kEzHAuPAfc
Name	2-[(5-benzyl-4,6-dihydroxy-2-pyrimidinyl)sulfanyl]hexanoic acid
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/C17H20N2O4S/c1-2-3-9-13(16(22)23)24-17-18-14(20)12(15(21)19-17)10-11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3,(H,22,23)(H2,18,19,20,21)
InChIKey	CFLCTLPGOVFOTP-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20077
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: D18320; Labnumber: AMIR1-6969; SBI_ID: SBI-020081
Temperature	306 °C