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4H-1,3-Benzodioxine, 6-chloro-8-(2-pyrimidylthiomethyl)-
SpectraBase Compound ID 4uXEWzjNWxC
InChI InChI=1S/C13H11ClN2O2S/c14-11-4-9-6-17-8-18-12(9)10(5-11)7-19-13-15-2-1-3-16-13/h1-5H,6-8H2
InChIKey MLFFVPTXKUYPNP-UHFFFAOYSA-N
Mol Weight 294.76 g/mol
Molecular Formula C13H11ClN2O2S
Exact Mass 294.022976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hpq4uqN2JcQ
Name 2-{[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}pyrimidine
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/C13H11ClN2O2S/c14-11-4-9-6-17-8-18-12(9)10(5-11)7-19-13-15-2-1-3-16-13/h1-5H,6-8H2
InChIKey MLFFVPTXKUYPNP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5193
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/11211634; Labnumber: LP-2110105; IOH_ID: IOH-005194
Synonyms (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-pyrimidinyl sulfide