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(1S,6S,9R)-2-Acetoxy-9-deuterio-6-methylbicyclo[4.4.0]dec-2-ene
SpectraBase Compound ID 9FMoxiOGVAs
InChI InChI=1S/C13H20O2/c1-10(14)15-12-7-5-9-13(2)8-4-3-6-11(12)13/h7,11H,3-6,8-9H2,1-2H3/t11-,13+/m1/s1/i3D/t3-,11-,13+
InChIKey PSGZVHOEIPJCOJ-DPUDVZRWSA-N
Mol Weight 209.31 g/mol
Molecular Formula C13H19DO2
Exact Mass 209.152607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm9X37o0cGE
Name (1S,6S,9R)-2-Acetoxy-9-deuterio-6-methylbicyclo[4.4.0]dec-2-ene
Alternate Name(s) cis-2-Acetoxy-9-deuterio-6-methylbicyclo[4.4.0]dec-2-ene
Comments Less than 3 mono-isotopic peaks
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Formula C13H19DO2
InChI InChI=1S/C13H20O2/c1-10(14)15-12-7-5-9-13(2)8-4-3-6-11(12)13/h7,11H,3-6,8-9H2,1-2H3/t11-,13+/m1/s1/i3D/t3-,11-,13+
InChIKey PSGZVHOEIPJCOJ-DPUDVZRWSA-N
Molecular Weight 209.307 g/mol
SMILES C=1([C@@]2([C@](CC[C@](C2)([D])[H])(C)CCC1)[H])OC(=O)C
SPLASH splash10-0002-9010000000-b7d73ec037a5053a6c31
Source of Spectrum KC-0-971-11
Wiley ID 821091