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(2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2-[2-(phenylseleno)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-(phenylseleno)ethyl]-2H-1-benzopyran
SpectraBase Compound ID 71ImqlHZ3iJ
InChI InChI=1S/C21H31BrOSe/c1-19(2)17-10-12-20(3,23-21(17,4)13-11-18(19)22)14-15-24-16-8-6-5-7-9-16/h5-9,17-18H,10-15H2,1-4H3/t17-,18-,20+,21-/m0/s1
InChIKey MKZLDJSNNSPJGM-MMKMLUHNSA-N
Mol Weight 458.35 g/mol
Molecular Formula C21H31BrOSe
Exact Mass 458.072351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37pii6xzk84
Name (2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2-[2-(phenylseleno)ethyl]-2H-1-benzopyran
Alternate Name(s) (2R,4aS,6S,8aS)-6-bromo-2,5,5,8a-tetramethyl-2-[2-(phenylselanyl)ethyl]octahydro-2H-chromene 2-[(2R,4aS,6S,8aS)-6-bromo-2,5,5,8a-tetramethyloctahydro-2H-chromen-2-yl]ethyl phenyl selenide
CAS Registry Number 71041-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BrOSe
InChI InChI=1S/C21H31BrOSe/c1-19(2)17-10-12-20(3,23-21(17,4)13-11-18(19)22)14-15-24-16-8-6-5-7-9-16/h5-9,17-18H,10-15H2,1-4H3/t17-,18-,20+,21-/m0/s1
InChIKey MKZLDJSNNSPJGM-MMKMLUHNSA-N
Molecular Weight 458.354 g/mol
SMILES [C@@]12([C@](C(C)(C)[C@](CC2)(Br)[H])(CC[C@@](O1)(CC[Se]c1ccccc1)C)[H])C
SPLASH splash10-004l-2950000000-4f5527de4dca9aa4d123
Source of Spectrum J-44-3466-0
Wiley ID 1389780