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4-D3-halfordin
SpectraBase Compound ID FzO2DxeBGsO
InChI InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3/i4D,5D,6D
InChIKey SHOQQSABOUVQLJ-WVALGTIDSA-N
Mol Weight 279.26 g/mol
Molecular Formula C14H92D3O6
Exact Mass 279.082218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FEq1Cmn8qe
Name 4-D3-halfordin
CAS Registry Number 57207-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9D3O6
InChI InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3/i4D,5D,6D
InChIKey SHOQQSABOUVQLJ-WVALGTIDSA-N
Molecular Weight 279.262 g/mol
SMILES c12C(=C(OC)C(Oc2c(c2oc(c(c2c1OC)[2D])[2D])[2D])=O)OC
SPLASH splash10-004r-0190000000-89bb51de61222e6e2c51
Source of Spectrum O6-0-293-0
Wiley ID 1279835