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(E)-4-(5-chloranylpyrimidin-2-yl)sulfanylbut-3-en-2-one
SpectraBase Compound ID 8BibqBJExnE
InChI InChI=1S/C8H7ClN2OS/c1-6(12)2-3-13-8-10-4-7(9)5-11-8/h2-5H,1H3/b3-2+
InChIKey VEOQUVQXCVRRBY-NSCUHMNNSA-N
Mol Weight 214.67 g/mol
Molecular Formula C8H7ClN2OS
Exact Mass 213.996762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FlxxOPYtKE
Name (E)-4-(5-chloranylpyrimidin-2-yl)sulfanylbut-3-en-2-one
CAS Registry Number 79686-07-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClN2OS
InChI InChI=1S/C8H7ClN2OS/c1-6(12)2-3-13-8-10-4-7(9)5-11-8/h2-5H,1H3/b3-2+
InChIKey VEOQUVQXCVRRBY-NSCUHMNNSA-N
Molecular Weight 214.670 g/mol
SMILES c1(ncc(cn1)Cl)S\C=C\C(=O)C
SPLASH splash10-00di-0900000000-b6323c3f82495b6a67c4
Source of Spectrum SB-37-117-0
Synonyms (E)-4-(5-chloropyrimidin-2-yl)sulfanylbut-3-en-2-one (E)-4-[(5-chloro-2-pyrimidinyl)thio]-3-buten-2-one (E)-4-[(5-chloropyrimidin-2-yl)thio]but-3-en-2-one
Wiley ID 1212991