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(1S,5R)-5,8,8-Trimethyl-1-[(1S)-1-ethyl-1,2-dihydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
SpectraBase Compound ID HQgvp8Oo2Hx
InChI InChI=1S/C22H27NO3/c1-5-17-16-9-7-6-8-15(16)10-13-23(17)18(24)22-12-11-21(4,20(22,2)3)14-26-19(22)25/h6-10,13,17H,5,11-12,14H2,1-4H3/t17-,21-,22-/m0/s1
InChIKey CMRAEOJYJMNUMZ-HSQYWUDLSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuDj2s1jiLm
Name (1S,5R)-5,8,8-Trimethyl-1-[(1S)-1-ethyl-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 C22H27NO3
InChI InChI=1S/C22H27NO3/c1-5-17-16-9-7-6-8-15(16)10-13-23(17)18(24)22-12-11-21(4,20(22,2)3)14-26-19(22)25/h6-10,13,17H,5,11-12,14H2,1-4H3/t17-,21-,22-/m0/s1
InChIKey CMRAEOJYJMNUMZ-HSQYWUDLSA-N
Molecular Weight 353.462 g/mol
SMILES [C@]12(C(N3C=Cc4c([C@@]3(CC)[H])cccc4)=O)C([C@@](C)(CC2)COC1=O)(C)C
SPLASH splash10-0002-0903000000-b56739259dd5e89c21bf
Source of Spectrum O1-61-311-11
Synonyms (1S,5R)-1-{[(1S)-1-ethylisoquinolinyl]carbonyl}-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
Wiley ID 1592363