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3-Bromo-2-[(E)-2-((1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl)-vinyl]-thiophene
SpectraBase Compound ID CN7rQlpx5bK
InChI InChI=1S/C20H27BrOS/c1-19(2,3)22-18-10-8-15-14(6-5-12-20(15,18)4)7-9-17-16(21)11-13-23-17/h5-7,9,11,13-15,18H,8,10,12H2,1-4H3/b9-7+/t14-,15-,18-,20-/m0/s1
InChIKey DOYUGYUJESREMM-FOZFFMNHSA-N
Mol Weight 395.4 g/mol
Molecular Formula C20H27BrOS
Exact Mass 394.0966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuCDN6vqatG
Name 3-Bromo-2-[(E)-2-((1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl)-vinyl]-thiophene
Alternate Name(s) (1S,3aS,4S,7aS)-4-[(E)-2-(3-bromo-2-thienyl)ethenyl]-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl tert-butyl ether 2-{(E)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]ethenyl}-3-bromothiophene 3-Bromo-3-[2'-(1''--7'a-methyl-2'',3'',3''a,4'',7'',7''a-hexahydro-1H-inden-4''-yl)ethenyl]-thiophene
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Formula C20H27BrOS
InChI InChI=1S/C20H27BrOS/c1-19(2,3)22-18-10-8-15-14(6-5-12-20(15,18)4)7-9-17-16(21)11-13-23-17/h5-7,9,11,13-15,18H,8,10,12H2,1-4H3/b9-7+/t14-,15-,18-,20-/m0/s1
InChIKey DOYUGYUJESREMM-FOZFFMNHSA-N
Molecular Weight 395.399 g/mol
SMILES [C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@@](\C=C\c2c(ccs2)Br)([H])C=CC1)[H])C
SPLASH splash10-052u-5019000000-54f842f4f65345e09d2d
Source of Spectrum B-57-638-11
Wiley ID 1551488