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(7S,8R)-3-(2H2)methyl-1-methyl-8-(propan-2-yl)(5,5,7,8,9,9-2H6)tricyclo[4.4.0.0(2,7)]dec-3-ene
SpectraBase Compound ID 5vRDngMHY0P
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1/i3D2,6D2,7D2,11D,13D
InChIKey VLXDPFLIRFYIME-DPRSVILNSA-N
Mol Weight 212.41 g/mol
Molecular Formula C15H16D8
Exact Mass 212.238015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ShfG82D7u0
Name (7S,8R)-3-(2H2)methyl-1-methyl-8-(propan-2-yl)(5,5,7,8,9,9-2H6)tricyclo[4.4.0.0(2,7)]dec-3-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16D8
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1/i3D2,6D2,7D2,11D,13D
InChIKey VLXDPFLIRFYIME-DPRSVILNSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.190
Molecular Weight 212.406 g/mol
SMILES C1[C@@]2([C@@]3([C@]([C@](C1([D])[D])(C(C)C)[D])([C@]2(C(=CC3([D])[D])C([D])[D])[H])[D])[H])C
SPLASH splash10-0abd-9400000000-45478071ec1bffbc6c19
Source of Spectrum BJO-15-1954-Figure 5C
Wiley ID 1865151