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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPmuZYeXtUP
Name 4H-1,3-Benzodioxine, 6-chloro-8-(2-pyrimidylthiomethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN2O2S
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
Molecular Weight 294.756 g/mol
SMILES c1(c2c(COCO2)cc(c1)Cl)CSc1ncccn1
SPLASH splash10-0h03-6890000000-dae6f0fa22999e102697
Synonyms 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine
Wiley ID 1456038