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Dimethyl [1,3-di(13C)-6-deuterio]hept-1,6-dienyl-4,4-dicarboxylate
SpectraBase Compound ID Kof561ndDPj
InChI InChI=1S/C11H16O4/c1-5-7-11(8-6-2,9(12)14-3)10(13)15-4/h5-6H,1-2,7-8H2,3-4H3/i1+1,6D,7+1
InChIKey SZIREXDQZMDDJM-GWLLWWBRSA-N
Mol Weight 215.24 g/mol
Molecular Formula C913C2H15DO4
Exact Mass 215.117845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DssBYImZD7L
Name Dimethyl [1,3-di(13C)-6-deuterio]hept-1,6-dienyl-4,4-dicarboxylate
Comments Original formula: C9[13C]2H15DO4
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Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-5-7-11(8-6-2,9(12)14-3)10(13)15-4/h5-6H,1-2,7-8H2,3-4H3/i1+1,6D,7+1
InChIKey SZIREXDQZMDDJM-GWLLWWBRSA-N
Molecular Weight 215.236 g/mol
SMILES [13CH2](C(C(=O)OC)(C(=O)OC)CC(=C)[D])C=[13CH2]
SPLASH splash10-001r-9100000000-8998ad3c703769452b85
Source of Spectrum K1-2001-1641-10
Wiley ID 846442