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(8',8',9',9'-Tetradeuterio)-Methyl abscisate
SpectraBase Compound ID 8QeyM103THz
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/i3D2,4D2
InChIKey HHDYPZVHXGPCRG-HOPHSKHWSA-N
Mol Weight 282.37 g/mol
Molecular Formula C16H182D4O4
Exact Mass 282.176916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UzChhfUN4y
Name (8',8',9',9'-Tetradeuterio)-Methyl abscisate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18D4O4
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/i3D2,4D2
InChIKey HHDYPZVHXGPCRG-HOPHSKHWSA-N
Molecular Weight 282.372 g/mol
SMILES OC1(C(=CC(=O)CC1(C([2D])[2D])C([2D])[2D])C)\C=C\C(=C/C(=O)OC)C
SPLASH splash10-03dj-0090000000-bbf330aa88d3ff972516
Source of Spectrum O-34-617-0
Synonyms Methyl (2',2',2',2'-tetradeuterio)-5-[2',2',6'-trimethyl-4'-oxo-cyclohex-5'-enyl)-3-methylpent-2-enoate
Wiley ID 763383