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(3a.alpha.,4.beta.,6a.alpha.,9a.beta.,10a.beta.)-Dodecahydro-4,9a-dimethyldicyclopenta[a,d]cycloocten-1(2H)-one
SpectraBase Compound ID K3EBR0KdDF2
InChI InChI=1S/C16H26O/c1-11-5-6-12-4-3-9-16(12,2)10-14-13(11)7-8-15(14)17/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-,16+/m0/s1
InChIKey HNCKQBWQMXLXHC-HCZIRCDUSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnlaVeHtAZW
Name (3a.alpha.,4.beta.,6a.alpha.,9a.beta.,10a.beta.)-Dodecahydro-4,9a-dimethyldicyclopenta[a,d]cycloocten-1(2H)-one
CAS Registry Number 97718-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O
InChI InChI=1S/C16H26O/c1-11-5-6-12-4-3-9-16(12,2)10-14-13(11)7-8-15(14)17/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-,16+/m0/s1
InChIKey HNCKQBWQMXLXHC-HCZIRCDUSA-N
Molecular Weight 234.383 g/mol
SMILES [C@@]12(C[C@@]3([C@@](CCC3)([H])CC[C@@]([C@@]1(CCC2=O)[H])(C)[H])C)[H]
SPLASH splash10-0a5d-9300000000-28751381ee3d0baa4937
Source of Spectrum J-50-3554-28
Synonyms (3aS,4S,6aR,9aR,10aS)-4,9a-dimethyldodecahydrodicyclopenta[a,d]cycloocten-1(2H)-one
Wiley ID 1236657