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3-Methoxy-4-chloro-pentadeuterobiphenyl
SpectraBase Compound ID JPoe7lBv69O
InChI InChI=1S/C13H11ClO/c1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-9H,1H3/i2D,3D,4D,5D,6D
InChIKey GZNUGXLDNUTRHC-VIQYUKPQSA-N
Mol Weight 223.71 g/mol
Molecular Formula C13H62D5ClO
Exact Mass 223.081226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TyCM7WXlw4
Name 3-Methoxy-4-chloro-pentadeuterobiphenyl
Comments Less than 3 mono-isotopic peaks
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Formula C13H6D5ClO
InChI InChI=1S/C13H11ClO/c1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-9H,1H3/i2D,3D,4D,5D,6D
InChIKey GZNUGXLDNUTRHC-VIQYUKPQSA-N
Molecular Weight 223.714 g/mol
SMILES c1(ccc(c(OC)c1)Cl)-c1c(c(c(c(c1[2D])[2D])[2D])[2D])[2D]
SPLASH splash10-00di-0190000000-a6ad70cb7a71ee2ae3c3
Source of Spectrum KO-7-16-2
Wiley ID 1217653