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3-[2-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-2,5-dihydropyran-6-one

View entire compound with spectra: 1 MS (GC)

3-[2-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-2,5-dihydropyran-6-one
SpectraBase Compound ID L8XRhrIgxgf
InChI InChI=1S/C21H32O2/c1-15-6-5-7-18-20(15,3)12-10-16(2)21(18,4)13-11-17-8-9-19(22)23-14-17/h8,16,18H,1,5-7,9-14H2,2-4H3/t16-,18-,20-,21-/m0/s1
InChIKey MXACVEULIRNOHC-GIUOSPMZSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZmWQehZlxM
Name 3-[2-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-2,5-dihydropyran-6-one
Alternate Name(s) 3-[2-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]ethyl]-2,5-dihydropyran-6-one 3-[2-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-2,5-dihydropyran-6-one
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Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-15-6-5-7-18-20(15,3)12-10-16(2)21(18,4)13-11-17-8-9-19(22)23-14-17/h8,16,18H,1,5-7,9-14H2,2-4H3/t16-,18-,20-,21-/m0/s1
InChIKey MXACVEULIRNOHC-GIUOSPMZSA-N
Molecular Weight 316.485 g/mol
SMILES [C@@]12([C@@]([C@](CCC3=CCC(OC3)=O)(C)[C@](CC1)(C)[H])(CCCC2=C)[H])C
SPLASH splash10-0007-3900000000-f1ad1f0476fe735ab4f0
Source of Spectrum F-55-13808-3
Wiley ID 839933