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1-deutero-7,8-benzotricyclo[4.2.0.0.(2,9)]nonene
SpectraBase Compound ID J4LpGfBANJP
InChI InChI=1S/C13H14/c1-2-5-9-8(4-1)10-6-3-7-11-12(9)13(10)11/h1-2,4-5,10-13H,3,6-7H2/t10?,11-,12+,13?/m1/s1/i13D
InChIKey CVCZCBHGICCTNW-WWLYAPNGSA-N
Mol Weight 171.26 g/mol
Molecular Formula C13H13D
Exact Mass 171.115827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hoCFf8KA8Z
Name 1-deutero-7,8-benzotricyclo[4.2.0.0.(2,9)]nonene
Comments Less than 3 mono-isotopic peaks
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Formula C13H13D
InChI InChI=1S/C13H14/c1-2-5-9-8(4-1)10-6-3-7-11-12(9)13(10)11/h1-2,4-5,10-13H,3,6-7H2/t10?,11-,12+,13?/m1/s1/i13D
InChIKey CVCZCBHGICCTNW-WWLYAPNGSA-N
Molecular Weight 171.261 g/mol
SMILES [C@@]12(C3(C(CCC[C@]23[H])c2c1cccc2)[D])[H]
SPLASH splash10-006x-0900000000-61a7958d7fec4f273515
Source of Spectrum F-46-3838-28
Wiley ID 1167693