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(2S,8aS)-2,5,5,8a-Tetramethyl-6-oxo-2-chloro-1-[4'-(methoxycarbonyl)-3'-methylbutyl]-(perhydro)naphthalene
SpectraBase Compound ID 8MDzGT6TpfP
InChI InChI=1S/C21H35ClO3/c1-14(13-18(24)25-6)7-8-16-20(4)11-10-17(23)19(2,3)15(20)9-12-21(16,5)22/h14-16H,7-13H2,1-6H3/t14?,15?,16?,20-,21-/m0/s1
InChIKey KPEJDVGIDVPCSR-UWVSKHRXSA-N
Mol Weight 371.0 g/mol
Molecular Formula C21H35ClO3
Exact Mass 370.227473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8k4OzcKfAe3
Name (2S,8aS)-2,5,5,8a-Tetramethyl-6-oxo-2-chloro-1-[4'-(methoxycarbonyl)-3'-methylbutyl]-(perhydro)naphthalene
Alternate Name(s) 2,5,5,8a-Tetramethyl-6-oxo-2-chloro-1-[4'-(methoxycarbonyl)-3'-methylbutyl]-(perhydro)naphthalene Methyl 5-[(2S,8aS)-2-chloro-2,5,5,8a-tetramethyl-6-oxodecahydro-1-naphthalenyl]-3-methylpentanoate
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Formula C21H35ClO3
InChI InChI=1S/C21H35ClO3/c1-14(13-18(24)25-6)7-8-16-20(4)11-10-17(23)19(2,3)15(20)9-12-21(16,5)22/h14-16H,7-13H2,1-6H3/t14?,15?,16?,20-,21-/m0/s1
InChIKey KPEJDVGIDVPCSR-UWVSKHRXSA-N
Molecular Weight 370.961 g/mol
SMILES [C@@]12(C(C(C)(C)C(CC2)=O)CC[C@@](C1CCC(CC(=O)OC)C)(Cl)C)C
SPLASH splash10-0kit-0692000000-0ca5ed8a6099cd329728
Source of Spectrum Y4-79-453-19
Wiley ID 1513206