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2-{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-6-{[(4-methylphenyl)sulfanyl]methyl}-4-pyrimidinol
SpectraBase Compound ID 6GDaaHtiMeJ
InChI InChI=1S/C26H20ClN3O2S3/c1-16-6-9-19(10-7-16)33-14-18-13-24(31)29-26(28-18)34-15-25(32)30-20-4-2-3-5-22(20)35-23-11-8-17(27)12-21(23)30/h2-13H,14-15H2,1H3,(H,28,29,31)
InChIKey AALSYPWCBDUEQH-UHFFFAOYSA-N
Mol Weight 538.1 g/mol
Molecular Formula C26H20ClN3O2S3
Exact Mass 537.040618 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpoQ8Tds2ED
Name 2-{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-6-{[(4-methylphenyl)sulfanyl]methyl}-4-pyrimidinol
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/C26H20ClN3O2S3/c1-16-6-9-19(10-7-16)33-14-18-13-24(31)29-26(28-18)34-15-25(32)30-20-4-2-3-5-22(20)35-23-11-8-17(27)12-21(23)30/h2-13H,14-15H2,1H3,(H,28,29,31)
InChIKey AALSYPWCBDUEQH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6949
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: D27193; Labnumber: VGU-17502; SBI_ID: SBI-006952
Temperature 318 °C