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d6-exo-1,4-Dimethyl-benzobicyclo[3.1.0]hex-2-ene
SpectraBase Compound ID 4Qe0MNdOxg0
InChI InChI=1S/C12H14/c1-8-9-5-3-4-6-10(9)12(2)7-11(8)12/h3-6,8,11H,7H2,1-2H3/t8-,11-,12-/m1/s1/i1D2,2D2,7D2
InChIKey CNLOZYRNPQYJPH-SJWBCCCPSA-N
Mol Weight 164.28 g/mol
Molecular Formula C12H82D6
Exact Mass 164.147211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRPoJSimo7R
Name d6-exo-1,4-Dimethyl-benzobicyclo[3.1.0]hex-2-ene
Alternate Name(s) (1aS,6S,6aR)-1a,6-bis(methyl-d2)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1,1-d2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8D6
InChI InChI=1S/C12H14/c1-8-9-5-3-4-6-10(9)12(2)7-11(8)12/h3-6,8,11H,7H2,1-2H3/t8-,11-,12-/m1/s1/i1D2,2D2,7D2
InChIKey CNLOZYRNPQYJPH-SJWBCCCPSA-N
Molecular Weight 164.281 g/mol
SMILES c1cc2c(cc1)[C@]([C@@]1([C@@]2(C1([2D])[2D])C([2D])[2D])[H])(C([2D])[2D])[H]
SPLASH splash10-0002-0900000000-a78f92a9db89a1d3b43c
Source of Spectrum H-54-2349-d6_exo_17
Wiley ID 1799863