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methyl [1,1'-biphenyl]-4-carboxylate-2,2'-d2
SpectraBase Compound ID EW7ztrlgRrB
InChI InChI=1S/C14H12O2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/i5D,7D
InChIKey GATUGNVDXMYTJX-KULBFBBOSA-N
Mol Weight 214.26 g/mol
Molecular Formula C14H10D2O2
Exact Mass 214.096283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4erOE5dmD6o
Name methyl [1,1'-biphenyl]-4-carboxylate-2,2'-d2
Appearance Nacre-like solid
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Exact Mass 214.096283116 u
Formula C14H10D2O2
InChI InChI=1S/C14H12O2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/i5D,7D
InChIKey GATUGNVDXMYTJX-KULBFBBOSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202108814
Molecular Weight 214.260 g/mol
Quality 666
SMILES C=1(C(=CC(=CC1)C(=O)OC)[D])C=1C(=CC=CC1)[D]
SPLASH splash10-01q9-2930000000-441246ac2b723c5ada9b
Source of Spectrum ACI-60-SM34-6a (DOI: 10.1002/anie.202108814)
Thin-Layer Chromatography 0.35 (ethyl acetate/cyclohexane, 1:20)
Wiley ID 1891334