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(1S,5R)-5,8,8-Trimethyl-1-[(1R)-1-methyl-1,2-dihydroisoquinolin-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-[(1R)-1-methyl-1,2-dihydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
SpectraBase Compound ID G04omumkxGp
InChI InChI=1S/C21H25NO3/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/h5-9,12,14H,10-11,13H2,1-4H3/t14-,20+,21+/m1/s1
InChIKey GQCJITKAHUCGPM-OREJSRFESA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCjwhjhNpyP
Name (1S,5R)-5,8,8-Trimethyl-1-[(1R)-1-methyl-1,2-dihydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/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/h5-9,12,14H,10-11,13H2,1-4H3/t14-,20+,21+/m1/s1
InChIKey GQCJITKAHUCGPM-OREJSRFESA-N
Molecular Weight 339.435 g/mol
SMILES [C@]12(C(N3C=Cc4c([C@]3(C)[H])cccc4)=O)C([C@@](C)(CC2)COC1=O)(C)C
SPLASH splash10-0072-0905000000-4754d4ace1e53e82011a
Source of Spectrum O1-61-311-12
Synonyms (1S,5R)-5,8,8-trimethyl-1-{[(1R)-1-methylisoquinolinyl]carbonyl}-3-oxabicyclo[3.2.1]octan-2-one
Wiley ID 1592364