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(4S,6R,7R,10R)-2-(Furan-3-yl)-7,11,11-trimethyloctahydrobenzofuran
SpectraBase Compound ID HaJeHsssTgp
InChI InChI=1S/C15H21BrO2/c1-14(2)12-8-11(10-5-7-17-9-10)18-15(12,3)6-4-13(14)16/h5,7,9,11-13H,4,6,8H2,1-3H3/t11-,12+,13+,15+/m0/s1
InChIKey ZKFZTRNJQAXNQJ-KYEXWDHISA-N
Mol Weight 313.24 g/mol
Molecular Formula C15H21BrO2
Exact Mass 312.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vs4R0g7Mhi
Name (4S,6R,7R,10R)-2-(Furan-3-yl)-7,11,11-trimethyloctahydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO2
InChI InChI=1S/C15H21BrO2/c1-14(2)12-8-11(10-5-7-17-9-10)18-15(12,3)6-4-13(14)16/h5,7,9,11-13H,4,6,8H2,1-3H3/t11-,12+,13+,15+/m0/s1
InChIKey ZKFZTRNJQAXNQJ-KYEXWDHISA-N
Literature Reference DOI 10.1021/jo402790x
Molecular Weight 313.235 g/mol
SMILES CC1([C@](Br)(CC[C@]2(O[C@@](C[C@]12[H])(c1cocc1)[H])C)[H])C
SPLASH splash10-008i-9720000000-1beba3a9246a88cdad8d
Source of Spectrum J-79-886-4_epi_3
Synonyms (4S,6R,7R,10R)-epi-luzofuran (2S,3aR,5R,7aR)-5-bromo-2-(furan-3-yl)-4,4,7a-trimethyloctahydrobenzofuran
Wiley ID 1746095