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1,2,4-Methenocyclobuta[a]naphthalene, 1,2,2a,3,4,8b-hexahydro-
SpectraBase Compound ID DxrG2tyQd4K
InChI InChI=1S/C13H12/c1-2-4-7-6(3-1)8-5-9-10(7)13-11(8)12(9)13/h1-4,8-13H,5H2/t8-,9+,10-,11+,12-,13+/m1/s1
InChIKey WBOYYEITQVUCGP-PDWLFKFUSA-N
Mol Weight 168.24 g/mol
Molecular Formula C13H12
Exact Mass 168.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nT1aBnCvHU
Name 1,2,4-Methenocyclobuta[a]naphthalene, 1,2,2a,3,4,8b-hexahydro-
CAS Registry Number 59945-70-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12
InChI InChI=1S/C13H12/c1-2-4-7-6(3-1)8-5-9-10(7)13-11(8)12(9)13/h1-4,8-13H,5H2/t8-,9+,10-,11+,12-,13+/m1/s1
InChIKey WBOYYEITQVUCGP-PDWLFKFUSA-N
Molecular Weight 168.239 g/mol
SMILES [C@@]12([C@@]3([C@]4([C@@]([C@]23[H])(C[C@@]1(c1c4cccc1)[H])[H])[H])[H])[H]
SPLASH splash10-014i-0900000000-2ec657274c4b6cbd9717
Source of Spectrum C-98-2603-0
Synonyms Benzo(8,9)tricyclo(5.2.0.0**2,5)nona-3,8-diene pentacyclo[7.4.0.0(2,6).0(3,5).0(4,8)]trideca-1(9),10,12-triene
Wiley ID 1165544