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Methyl 2-deuterio-5-phenyl-2(E)-pentenoate
SpectraBase Compound ID BLR4TtfAsuc
InChI InChI=1S/C12H14O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,5,9H2,1H3/b10-6+/i10D
InChIKey KRQKLKAPNGLSMF-TZEOWIFYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C12H13DO2
Exact Mass 191.105656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DJ8zRo8RUL
Name Methyl 2-deuterio-5-phenyl-2(E)-pentenoate
Alternate Name(s) (E)-2-deuterio-5-phenyl-2-pentenoic acid methyl ester Methyl (E)-2-deuterio-5-phenylpent-2-enoate Methyl (E)-2-deuterio-5-phenyl-pent-2-enoate
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Formula C12H13DO2
InChI InChI=1S/C12H14O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,5,9H2,1H3/b10-6+/i10D
InChIKey KRQKLKAPNGLSMF-TZEOWIFYSA-N
Molecular Weight 191.248 g/mol
SMILES C(\C(=C\CCc1ccccc1)[D])(=O)OC
SPLASH splash10-0006-9300000000-fb06d19fd06add12fbde
Source of Spectrum SK-30-105-3
Wiley ID 881077