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2-[3'-Oxo-2'-(pent-2"-enyl)-2',4'-4'-trideuteriocyclopentyl]-2,2-dideuterioacetic acid
SpectraBase Compound ID H1AHN4F6nKW
InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3+/i7D2,8D2,10D
InChIKey ZNJFBWYDHIGLCU-ZDXQCAJVSA-N
Mol Weight 215.3 g/mol
Molecular Formula C12H132D5O3
Exact Mass 215.156978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUKU9baOM92
Name 2-[3'-Oxo-2'-(pent-2"-enyl)-2',4'-4'-trideuteriocyclopentyl]-2,2-dideuterioacetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13D5O3
InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3+/i7D2,8D2,10D
InChIKey ZNJFBWYDHIGLCU-ZDXQCAJVSA-N
Molecular Weight 215.304 g/mol
SMILES OC(C(C1C(C(=O)C(C1)([2D])[2D])(C\C=C\CC)[2D])([2D])[2D])=O
SPLASH splash10-000i-9400000000-0aa2835a2f7186d92af5
Source of Spectrum H-80-849-0
Wiley ID 1209360