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(3E)-3,4,6,6-tetradeuterio-5-(phenylmethyl)-2-hexa-3,5-dienone
SpectraBase Compound ID 9W1ZRjwl9f2
InChI InChI=1S/C13H14O/c1-11(8-9-12(2)14)10-13-6-4-3-5-7-13/h3-9H,1,10H2,2H3/b9-8+/i1D2,8D,9D
InChIKey WBPGEHVXQGUGOS-FLPMEQNRSA-N
Mol Weight 190.28 g/mol
Molecular Formula C13H10D4O
Exact Mass 190.129572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhRyuNzlwvs
Name (3E)-3,4,6,6-tetradeuterio-5-(phenylmethyl)-2-hexa-3,5-dienone
Alternate Name(s) (3E)-3,4,6,6-tetradeuterio-5-(phenylmethyl)hexa-3,5-dien-2-one (3E)-5-benzyl-3,4,6,6-tetradeuterio-hexa-3,5-dien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10D4O
InChI InChI=1S/C13H14O/c1-11(8-9-12(2)14)10-13-6-4-3-5-7-13/h3-9H,1,10H2,2H3/b9-8+/i1D2,8D,9D
InChIKey WBPGEHVXQGUGOS-FLPMEQNRSA-N
Molecular Weight 190.278 g/mol
SMILES C(\C(=C\(C(=C([D])[D])Cc1ccccc1)[D])[D])(=O)C
SPLASH splash10-0002-3900000000-a91783e99fdffb67ff21
Source of Spectrum SK-30-116-13
Wiley ID 881051