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1-Propanone, 1-[4-(6-heptyldecahydro-2-naphthalenyl)cyclohexyl]-, [2.alpha.(trans),4a.alpha.,6.beta.,8a.beta.]-
SpectraBase Compound ID 1kzKSiZY5P4
InChI InChI=1S/C26H46O/c1-3-5-6-7-8-9-20-10-11-25-19-24(17-16-23(25)18-20)21-12-14-22(15-13-21)26(27)4-2/h20-25H,3-19H2,1-2H3/t20-,21?,22-,23-,24+,25+/m0/s1
InChIKey URNYHHIDYDSPRK-MSMJFEDNSA-N
Mol Weight 374.7 g/mol
Molecular Formula C26H46O
Exact Mass 374.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CR5IjYnKXkN
Name 1-Propanone, 1-[4-(6-heptyldecahydro-2-naphthalenyl)cyclohexyl]-, [2.alpha.(trans),4a.alpha.,6.beta.,8a.beta.]-
Alternate Name(s) 1-{4-[(2R,4aS,6S,8aR)-6-heptyldecahydro-2-naphthalenyl]cyclohexyl}-1-propanone Ethyl 4-[6.beta.-heptyl-2.alpha.-(4a.alpha.,8a.beta.)-decahydronaphthyl]cyclohexyl ketone
CAS Registry Number 83838-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O
InChI InChI=1S/C26H46O/c1-3-5-6-7-8-9-20-10-11-25-19-24(17-16-23(25)18-20)21-12-14-22(15-13-21)26(27)4-2/h20-25H,3-19H2,1-2H3/t20-,21?,22-,23-,24+,25+/m0/s1
InChIKey URNYHHIDYDSPRK-MSMJFEDNSA-N
Molecular Weight 374.653 g/mol
SMILES [C@@]12([C@](C[C@](CC2)(CCCCCCC)[H])(CC[C@](C1)(C1CCC(C(=O)CC)CC1)[H])[H])[H]
SPLASH splash10-0a59-9316000000-a3f93b4a5c333fb33683
Source of Spectrum H-65-1256-0
Wiley ID 1356997