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(E)-4-(5-chloranylpyrimidin-2-yl)sulfonylbut-3-en-2-one
SpectraBase Compound ID 42bfcIFp5sN
InChI InChI=1S/C8H7ClN2O3S/c1-6(12)2-3-15(13,14)8-10-4-7(9)5-11-8/h2-5H,1H3/b3-2+
InChIKey UTRLCQDZBAISRZ-NSCUHMNNSA-N
Mol Weight 246.67 g/mol
Molecular Formula C8H7ClN2O3S
Exact Mass 245.986591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhxdhVEYmXJ
Name (E)-4-(5-chloranylpyrimidin-2-yl)sulfonylbut-3-en-2-one
CAS Registry Number 79685-30-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClN2O3S
InChI InChI=1S/C8H7ClN2O3S/c1-6(12)2-3-15(13,14)8-10-4-7(9)5-11-8/h2-5H,1H3/b3-2+
InChIKey UTRLCQDZBAISRZ-NSCUHMNNSA-N
Molecular Weight 246.668 g/mol
SMILES c1(S(\C=C\C(=O)C)(=O)=O)ncc(cn1)Cl
SPLASH splash10-03yi-0920000000-961262c3683f61e921c1
Source of Spectrum SB-37-118-0
Synonyms (E)-4-(5-chloropyrimidin-2-yl)sulfonylbut-3-en-2-one (E)-4-[(5-chloro-2-pyrimidinyl)sulfonyl]-3-buten-2-one
Wiley ID 1248324