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(2E,4E)-[2-Trideuteriomethyl-5,5-D5]octa-2,6-diene-1,8-diol
SpectraBase Compound ID 5dBKufzVyTm
InChI InChI=1S/C9H16O2/c1-9(8-11)6-4-2-3-5-7-10/h3,5-6,10-11H,2,4,7-8H2,1H3/b5-3+,9-6+/i1D3,2D2
InChIKey NZAUBFJWMIAEBP-RZZUMRCRSA-N
Mol Weight 161.26 g/mol
Molecular Formula C9H11D5O2
Exact Mass 161.146413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr38HRvHsuF
Name (2E,4E)-[2-Trideuteriomethyl-5,5-D5]octa-2,6-diene-1,8-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11D5O2
InChI InChI=1S/C9H16O2/c1-9(8-11)6-4-2-3-5-7-10/h3,5-6,10-11H,2,4,7-8H2,1H3/b5-3+,9-6+/i1D3,2D2
InChIKey NZAUBFJWMIAEBP-RZZUMRCRSA-N
Molecular Weight 161.256 g/mol
SMILES OC\C=C\C(C\C=C\(CO)C([D])([D])[D])([D])[D]
SPLASH splash10-0a4s-9000000000-b1ed2413f82572abd9f5
Source of Spectrum F-50-6870-15
Wiley ID 1153933