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11,11,12,12,12-pentadeuterojasmonate methyl ester
SpectraBase Compound ID LCGYuAWXDDG
InChI InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1/i1D3,3D2
InChIKey GEWDNTWNSAZUDX-QWZDOQEWSA-N
Mol Weight 229.33 g/mol
Molecular Formula C13H15D5O3
Exact Mass 229.172628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16ZfzbEooBI
Name 11,11,12,12,12-pentadeuterojasmonate methyl ester
Appearance Colorless liquid
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Formula C13H15D5O3
InChI InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1/i1D3,3D2
InChIKey GEWDNTWNSAZUDX-QWZDOQEWSA-N
Ionization Type EI
Molecular Weight 229.331 g/mol
Reported Formula C13H15D5O3
SMILES C1CC([C@@]([C@]1(CC(OC)=O)[H])(C\C=C/C(C([D])([D])[D])([D])[D])[H])=O
SPLASH splash10-0a4i-0900000000-8c9b12ff5544b9107d8b
Source of Spectrum CN104529758A
Wiley ID 1852596