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1-(2,4-dichloropyrimidin-5-yl)but-3-en-1-ol
SpectraBase Compound ID IzoVEB3TzQP
InChI InChI=1S/C8H8Cl2N2O/c1-2-3-6(13)5-4-11-8(10)12-7(5)9/h2,4,6,13H,1,3H2
InChIKey XOSREAOTZHJXSX-UHFFFAOYSA-N
Mol Weight 219.07 g/mol
Molecular Formula C8H8Cl2N2O
Exact Mass 218.001368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1WJnwPpMzj
Name 1-(2,4-dichloropyrimidin-5-yl)but-3-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8Cl2N2O
InChI InChI=1S/C8H8Cl2N2O/c1-2-3-6(13)5-4-11-8(10)12-7(5)9/h2,4,6,13H,1,3H2
InChIKey XOSREAOTZHJXSX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502016h
Molecular Weight 219.071 g/mol
SMILES OC(c1cnc(Cl)nc1Cl)CC=C
SPLASH splash10-004i-3900000000-19080bc45db596f79e93
Source of Spectrum A1-16-4972/SMS11-14b
Wiley ID 1751184