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(E)-3,4-Dideuterio-6-phenyl-3-hexen-2-one
SpectraBase Compound ID 6m8P69V6eLm
InChI InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3/b7-5+/i5D,7D
InChIKey PHEPHOADHFLZJS-PLSYMCLFSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H12D2O
Exact Mass 176.117019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41vYxb0SHwP
Name (E)-3,4-Dideuterio-6-phenyl-3-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12D2O
InChI InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3/b7-5+/i5D,7D
InChIKey PHEPHOADHFLZJS-PLSYMCLFSA-N
Molecular Weight 176.255 g/mol
SMILES C(\C(=C\(CCc1ccccc1)[D])[D])(=O)C
SPLASH splash10-002f-9200000000-0e7735a2d1bb1ffbe03f
Source of Spectrum SK-30-115-11
Synonyms (E)-3,4-Dideuterio-6-phenyl-hex-3-en-2-one
Wiley ID 881055