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1-{1,1,12,12-tetradeutero-4-[12-(2,3,5,6-tetradeutero-4-acetylphenyl)dodecyl]2,3,5,6-tetradeutero-phenyl}ethanone
SpectraBase Compound ID 4RUpB51PFax
InChI InChI=1S/C28H38O2/c1-23(29)27-19-15-25(16-20-27)13-11-9-7-5-3-4-6-8-10-12-14-26-17-21-28(22-18-26)24(2)30/h15-22H,3-14H2,1-2H3/i13D2,14D2,15D,16D,17D,18D,19D,20D,21D,22D
InChIKey NIOZJGLNKVPYFH-MYNCVDEBSA-N
Mol Weight 418.68 g/mol
Molecular Formula C28H262D12O2
Exact Mass 418.362501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBvp5Ix9x64
Name 1-{1,1,12,12-tetradeutero-4-[12-(2,3,5,6-tetradeutero-4-acetylphenyl)dodecyl]2,3,5,6-tetradeutero-phenyl}ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26D12O2
InChI InChI=1S/C28H38O2/c1-23(29)27-19-15-25(16-20-27)13-11-9-7-5-3-4-6-8-10-12-14-26-17-21-28(22-18-26)24(2)30/h15-22H,3-14H2,1-2H3/i13D2,14D2,15D,16D,17D,18D,19D,20D,21D,22D
InChIKey NIOZJGLNKVPYFH-MYNCVDEBSA-N
Molecular Weight 418.683 g/mol
SMILES c1(c(c(c(c(c1[2D])[2D])C(CCCCCCCCCCC(c1c(c(c(c(c1[2D])[2D])C(=O)C)[2D])[2D])([2D])[2D])([2D])[2D])[2D])[2D])C(=O)C
SPLASH splash10-0f6x-4910200000-244f6da73176ec021cde
Synonyms 1-{4-[12-(4-Acetylphenyl)dodecyl]phenyl}ethanone
Wiley ID 1488189