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4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro-, (3a.alpha.,4.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.,9.alpha.,9a.alpha.)-
SpectraBase Compound ID 2a85PFwu9N4
InChI InChI=1S/C15H18/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h1-2,4-5,8-15H,3,6-7H2/t8-,9+,10-,11+,12+,13-,14+,15-/m1/s1
InChIKey XCGKRTHKVBCXLN-JWAUIROESA-N
Mol Weight 198.31 g/mol
Molecular Formula C15H18
Exact Mass 198.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjcRUZ6chsF
Name 4,9:5,8-Dimethano-1H-benz[F]indene, 3A,4,4A,5,8,8A,9,9A-octahydro-, (3A.alpha.,4.alpha.,4A.beta.,5.beta.,8.beta.,8A.beta.,9.alpha.,9A.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.140850580 u
Formula C15H18
InChI InChI=1S/C15H18/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h1-2,4-5,8-15H,3,6-7H2/t8-,9+,10-,11+,12+,13-,14+,15-/m1/s1
InChIKey XCGKRTHKVBCXLN-JWAUIROESA-N
Molecular Weight 198.309 g/mol
SMILES [C@@]12([C@@]([C@]3([H])C[C@]2([C@]2([C@@]3(CC=C2)[H])[H])[H])([C@]2([H])C[C@]1(C=C2)[H])[H])[H]