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3-(4-Chlorophenylsulfonyl)-4-ethoxybut-3-en-2-one
SpectraBase Compound ID LZL8ZTxgLlw
InChI InChI=1S/C12H13ClO4S/c1-3-17-8-12(9(2)14)18(15,16)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3/b12-8+
InChIKey KKJFBPCKVYIRGR-XYOKQWHBSA-N
Mol Weight 288.75 g/mol
Molecular Formula C12H13ClO4S
Exact Mass 288.022308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8j8T6Q9LRyB
Name 3-(4-Chlorophenylsulfonyl)-4-ethoxybut-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO4S
InChI InChI=1S/C12H13ClO4S/c1-3-17-8-12(9(2)14)18(15,16)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3/b12-8+
InChIKey KKJFBPCKVYIRGR-XYOKQWHBSA-N
Molecular Weight 288.745 g/mol
SMILES C(\C(S(c1ccc(cc1)Cl)(=O)=O)=C/OCC)(=O)C
SPLASH splash10-0002-9840000000-d502788778531ea1dbb4
Source of Spectrum F4-41-2227-2c
Synonyms 3-((4-chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one 3-[(4-chlorophenyl)sulfonyl]-4-ethoxybut-3-en-2-one (3E)-3-[(4-chlorophenyl)sulfonyl]-4-ethoxybut-3-en-2-one (E)-3-(4-chlorophenyl)sulfonyl-4-ethoxy-3-buten-2-one (E)-3-(4-chlorophenyl)sulfonyl-4-ethoxybut-3-en-2-one
Wiley ID 1672605