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2,10:4,9:6,8-Trimethanodicyclopent[a,h]-s-indacene, octadecahydro-, (2.alpha.,3a.beta.,3b.alpha.,4.beta.,4a.alpha.,4b.beta.,6.alpha.,7a.beta.,8.alpha.,8a.alpha.,9.beta.,9a.alpha.,10.alpha.,10a.beta.)-
SpectraBase Compound ID 6qelDjA9pIK
InChI InChI=1S/C21H28/c1-8-3-12-10(1)13(4-8)19-17-7-16(18(12)19)20-14-5-9-2-11(14)15(6-9)21(17)20/h8-21H,1-7H2/t8-,9?,10+,11?,12-,13?,14?,15?,16-,17+,18?,19?,20?,21?/m0/s1
InChIKey MLJMTZIVCRNWSI-PTUOCURCSA-N
Mol Weight 280.45 g/mol
Molecular Formula C21H28
Exact Mass 280.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZhKUnZgdtM
Name 2,10:4,9:6,8-Trimethanodicyclopent[a,h]-s-indacene, octadecahydro-, (2.alpha.,3a.beta.,3b.alpha.,4.beta.,4a.alpha.,4b.beta.,6.alpha.,7a.beta.,8.alpha.,8a.alpha.,9.beta.,9a.alpha.,10.alpha.,10a.beta.)-
CAS Registry Number 72621-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28
InChI InChI=1S/C21H28/c1-8-3-12-10(1)13(4-8)19-17-7-16(18(12)19)20-14-5-9-2-11(14)15(6-9)21(17)20/h8-21H,1-7H2/t8-,9?,10+,11?,12-,13?,14?,15?,16-,17+,18?,19?,20?,21?/m0/s1
InChIKey MLJMTZIVCRNWSI-PTUOCURCSA-N
Molecular Weight 280.455 g/mol
SMILES C12C([C@]3(C[C@@]2(C2C3[C@]3(C[C@]4(CC2[C@@]3(C4)[H])[H])[H])[H])[H])C2CC3CC1C2C3
SPLASH splash10-001i-2290000000-6234051b2f055f2e4621
Source of Spectrum K-112-3573-0
Synonyms exo,exo-octacyclo[8.8.1.(3,6).1(12,15).0(2,9).0(4,8).0(11,18).0(13,17)]heneicosane Octacyclo[8.8.1.1(3,6).1(12,15).0(2,9).0(4,8).0(11,18).0(13,17)]henicosane
Wiley ID 1284544