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(1S,5R)-5,8,8-Trimethyl-1-[(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one

View entire compound with spectra: 1 MS (GC)

(1S,5R)-5,8,8-Trimethyl-1-[(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
SpectraBase Compound ID JNJBr55uCTM
InChI InChI=1S/C21H27NO3/c1-14-16-8-6-5-7-15(16)9-12-22(14)17(23)21-11-10-20(4,19(21,2)3)13-25-18(21)24/h5-8,14H,9-13H2,1-4H3/t14-,20-,21-/m0/s1
InChIKey GZEZKDVCGJJVTE-WVFSVQOHSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hNEPud9IHd
Name (1S,5R)-5,8,8-Trimethyl-1-[(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
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Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-14-16-8-6-5-7-15(16)9-12-22(14)17(23)21-11-10-20(4,19(21,2)3)13-25-18(21)24/h5-8,14H,9-13H2,1-4H3/t14-,20-,21-/m0/s1
InChIKey GZEZKDVCGJJVTE-WVFSVQOHSA-N
Molecular Weight 341.451 g/mol
SMILES [C@]12(C(N3[C@](c4ccccc4CC3)(C)[H])=O)C([C@@](C)(CC2)COC1=O)(C)C
SPLASH splash10-0002-0901000000-d14b30b179b467552504
Source of Spectrum O1-61-317-16
Synonyms (1S,5R)-5,8,8-trimethyl-1-[((1S)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-oxabicyclo[3.2.1]octan-2-one
Wiley ID 1592350