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(1S,5R)-5,8,8-Trimethyl-1-[(1S)-1-phenyl-1,2-dihydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
SpectraBase Compound ID DNFZokiKe60
InChI InChI=1S/C26H27NO3/c1-24(2)25(3)14-15-26(24,23(29)30-17-25)22(28)27-16-13-18-9-7-8-12-20(18)21(27)19-10-5-4-6-11-19/h4-13,16,21H,14-15,17H2,1-3H3/t21-,25-,26-/m0/s1
InChIKey FKCPJLGQHAQTRA-MZBJOSPHSA-N
Mol Weight 401.51 g/mol
Molecular Formula C26H27NO3
Exact Mass 401.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHKJoEmGUGc
Name (1S,5R)-5,8,8-Trimethyl-1-[(1S)-1-phenyl-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 C26H27NO3
InChI InChI=1S/C26H27NO3/c1-24(2)25(3)14-15-26(24,23(29)30-17-25)22(28)27-16-13-18-9-7-8-12-20(18)21(27)19-10-5-4-6-11-19/h4-13,16,21H,14-15,17H2,1-3H3/t21-,25-,26-/m0/s1
InChIKey FKCPJLGQHAQTRA-MZBJOSPHSA-N
Molecular Weight 401.506 g/mol
SMILES [C@@]12(C(N3[C@](c4ccccc4C=C3)(c3ccccc3)[H])=O)C([C@@](C)(CC1)COC2=O)(C)C
SPLASH splash10-0a4i-0190100000-d991351e12f2ee5f7aa0
Source of Spectrum O1-61-312-11
Synonyms (1S,5R)-5,8,8-trimethyl-1-{[(1S)-1-phenylisoquinolinyl]carbonyl}-3-oxabicyclo[3.2.1]octan-2-one
Wiley ID 1592361