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3-Chloro-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,6-thiadiazin-4-one
SpectraBase Compound ID ITqtdRnjlEU
InChI InChI=1S/C8H6ClN3OS/c1-12-4-2-3-5(12)6-7(13)8(9)11-14-10-6/h2-4H,1H3
InChIKey DEAQKLAJLLYLLR-UHFFFAOYSA-N
Mol Weight 227.67 g/mol
Molecular Formula C8H6ClN3OS
Exact Mass 226.992011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMxFyZHY0MI
Name 3-Chloro-5-(1-methyl-1H-pyrrol-2-yl)-4H-1,2,6-thiadiazin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN3OS
InChI InChI=1S/C8H6ClN3OS/c1-12-4-2-3-5(12)6-7(13)8(9)11-14-10-6/h2-4H,1H3
InChIKey DEAQKLAJLLYLLR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2025235
Molecular Weight 227.669 g/mol
SMILES C=1(Cl)C(=O)C(=NSN1)c1[n](ccc1)C
SPLASH splash10-0a6r-3940000000-8ffa4ab446716448a1a4
Source of Spectrum A1-13-5886/SMS9-11c
Synonyms 3-Chloro-5-(1-methyl-2-pyrrolyl)-1,2,6-thiadiazin-4-one 3-Chloranyl-5-(1-methylpyrrol-2-yl)-1,2,6-thiadiazin-4-one
Wiley ID 1753895