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Methyl 4,8a-dimethyl-1-phenylseleno-3-oxooctahydronaphthalen-6-alpha.-methylacetate isomer
SpectraBase Compound ID m2lBJUVTSq
InChI InChI=1S/C22H28O3Se/c1-14(21(24)25-4)16-10-11-22(3)18(12-16)15(2)19(23)13-20(22)26-17-8-6-5-7-9-17/h5-9,14,16,20H,10-13H2,1-4H3/t14?,16-,20+,22?/m1/s1
InChIKey MIMCJPYYKKEODO-ATJMNNECSA-N
Mol Weight 419.43 g/mol
Molecular Formula C22H28O3Se
Exact Mass 420.120367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBxhRw0znwv
Name Methyl 4,8a-dimethyl-1-phenylseleno-3-oxooctahydronaphthalen-6-alpha.-methylacetate isomer
Comments Less than 3 mono-isotopic peaks
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Formula C22H28O3Se
InChI InChI=1S/C22H28O3Se/c1-14(21(24)25-4)16-10-11-22(3)18(12-16)15(2)19(23)13-20(22)26-17-8-6-5-7-9-17/h5-9,14,16,20H,10-13H2,1-4H3/t14?,16-,20+,22?/m1/s1
InChIKey MIMCJPYYKKEODO-ATJMNNECSA-N
Molecular Weight 419.435 g/mol
SMILES C=12C([C@@]([Se]c3ccccc3)(CC(C1C)=O)[H])(CC[C@](C2)(C(C(=O)OC)C)[H])C
SPLASH splash10-03di-0090100000-9517a49c1d686fe89b64
Source of Spectrum AT-32-3416-7
Synonyms 2-((2R,5S)-4a,8-Dimethyl-7-oxo-5-phenylselanyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-2-yl)-propionic acid methyl ester
Wiley ID 836018