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(2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2-[-[(2-nitrophenyl)seleno]ethyl]-2H-1-benzopyran

View entire compound with spectra: 1 MS (GC)

(2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2-[-[(2-nitrophenyl)seleno]ethyl]-2H-1-benzopyran
SpectraBase Compound ID J6RBV01gbbM
InChI InChI=1S/C21H30BrNO3Se/c1-19(2)17-9-11-20(3,26-21(17,4)12-10-18(19)22)13-14-27-16-8-6-5-7-15(16)23(24)25/h5-8,17-18H,9-14H2,1-4H3/t17-,18-,20+,21-/m0/s1
InChIKey XLSKDVVCRRJPGT-MMKMLUHNSA-N
Mol Weight 503.35 g/mol
Molecular Formula C21H30BrNO3Se
Exact Mass 503.057429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ihn7mOF3esc
Name (2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2-[-[(2-nitrophenyl)seleno]ethyl]-2H-1-benzopyran
CAS Registry Number 71041-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30BrNO3Se
InChI InChI=1S/C21H30BrNO3Se/c1-19(2)17-9-11-20(3,26-21(17,4)12-10-18(19)22)13-14-27-16-8-6-5-7-15(16)23(24)25/h5-8,17-18H,9-14H2,1-4H3/t17-,18-,20+,21-/m0/s1
InChIKey XLSKDVVCRRJPGT-MMKMLUHNSA-N
Molecular Weight 503.351 g/mol
SMILES c1(N(=O)=O)c([Se]CC[C@@]2(O[C@]3(CC[C@@](C([C@@]3(CC2)[H])(C)C)(Br)[H])C)C)cccc1
SPLASH splash10-0006-9740000000-d209e3a79bc64bbeaf3f
Source of Spectrum J-44-3466-0
Synonyms (2R,4aS,6S,8aS)-6-bromo-2,5,5,8a-tetramethyl-2-{2-[(2-nitrophenyl)selanyl]ethyl}octahydro-2H-chromene 2-[(2R,4aS,6S,8aS)-6-bromo-2,5,5,8a-tetramethyloctahydro-2H-chromen-2-yl]ethyl 2-nitrophenyl selenide
Wiley ID 1399376