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1-Methylpentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosane
SpectraBase Compound ID JmTw60KpxnO
InChI InChI=1S/C21H34/c1-21-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)21)16-10-4-7-13-19(16)21/h14-20H,2-13H2,1H3/t14-,15-,16+,17+,18+,19-,20-,21+/m1/s1
InChIKey ZTAAVWYGFIDAGI-DQFVEZSESA-N
Mol Weight 286.5 g/mol
Molecular Formula C21H34
Exact Mass 286.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZnobKEmhtR
Name 1-Methylpentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34
InChI InChI=1S/C21H34/c1-21-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)21)16-10-4-7-13-19(16)21/h14-20H,2-13H2,1H3/t14-,15-,16+,17+,18+,19-,20-,21+/m1/s1
InChIKey ZTAAVWYGFIDAGI-DQFVEZSESA-N
Molecular Weight 286.503 g/mol
SMILES [C@]12([C@@]3([C@@](CCCC3)([C@@]([C@@]3([C@]1(CCCC3)[H])[H])([C@]1([C@@]2(CCCC1)[H])[H])[H])[H])[H])C
SPLASH splash10-0zfr-7940000000-4dcf6c5b414efe51994d
Source of Spectrum JX-2015-2-1140
Synonyms (4aR,8aS,9r,9aR,10s,10aS)-9-methylicosahydro-9,10-[1,2]benzenoanthracene
Wiley ID 1722806