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Benzocentro-hexaquinane
SpectraBase Compound ID 26GAwH1nBDN
InChI InChI=1S/C21H24/c1-2-4-16-15(3-1)19-11-7-17-5-6-18(8-12-19)10-14-20(16,13-9-17)21(17,18)19/h1-4H,5-14H2/t17-,18+,19-,20+,21-
InChIKey WCLWMLAKJLYXRE-CZLMFIFXSA-N
Mol Weight 276.42 g/mol
Molecular Formula C21H24
Exact Mass 276.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPv7RNihCj4
Name Benzocentro-hexaquinane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24
InChI InChI=1S/C21H24/c1-2-4-16-15(3-1)19-11-7-17-5-6-18(8-12-19)10-14-20(16,13-9-17)21(17,18)19/h1-4H,5-14H2/t17-,18+,19-,20+,21-
InChIKey WCLWMLAKJLYXRE-CZLMFIFXSA-N
Molecular Weight 276.423 g/mol
SMILES C123[C@]45c6ccccc6[C@]33CC[C@@]1(CC5)CC[C@@]2(CC4)CC3
SPLASH splash10-004i-0190000000-5be5d54c1b0c42548221
Source of Spectrum U-1996-1358-11
Synonyms Heptacyclo[9.5.2.2(8,14).1(1,8).0(2,7).0(11,21).0(14,21)]henicosa-2(7),3,5-triene
Wiley ID 768603