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Ethyl (2E)-5-Benzoyl-3,4,5-trideuterio-2-methyl-6-oxo-4,6-diphenylhex-2-enoate
SpectraBase Compound ID 9fk7KDUlckF
InChI InChI=1S/C28H26O4/c1-3-32-28(31)20(2)19-24(21-13-7-4-8-14-21)25(26(29)22-15-9-5-10-16-22)27(30)23-17-11-6-12-18-23/h4-19,24-25H,3H2,1-2H3/b20-19+/i19D,24D,25D
InChIKey JENPJSHLXFZKDA-HMEYOBMSSA-N
Mol Weight 429.53 g/mol
Molecular Formula C28H232D3O4
Exact Mass 429.20194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WtLz8alTiP
Name Ethyl (2E)-5-Benzoyl-3,4,5-trideuterio-2-methyl-6-oxo-4,6-diphenylhex-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23D3O4
InChI InChI=1S/C28H26O4/c1-3-32-28(31)20(2)19-24(21-13-7-4-8-14-21)25(26(29)22-15-9-5-10-16-22)27(30)23-17-11-6-12-18-23/h4-19,24-25H,3H2,1-2H3/b20-19+/i19D,24D,25D
InChIKey JENPJSHLXFZKDA-HMEYOBMSSA-N
Molecular Weight 429.530 g/mol
SMILES C(\C(=C\(C(C(C(c1ccccc1)=O)([2D])C(c1ccccc1)=O)(c1ccccc1)[2D])[2D])C)(=O)OCC
SPLASH splash10-0zfr-0090600000-f97c1cfe6d24aef75fc0
Source of Spectrum U1-2012-2592-3ba
Synonyms (E)-5-benzoyl-3,4,5-trideuterio-2-methyl-6-oxo-4,6-diphenyl-2-hexenoic acid ethyl ester Ethyl (E)-5-benzoyl-3,4,5-trideuterio-2-methyl-6-oxo-4,6-diphenylhex-2-enoate Ethyl (E)-5-benzoyl-3,4,5-trideuterio-2-methyl-6-oxo-4,6-diphenyl-hex-2-enoate Ethyl (E)-3,4,5-trideuterio-2-methyl-6-oxidanylidene-4,6-diphenyl-5-(phenylcarbonyl)hex-2-enoate
Wiley ID 1715337