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(1S,4S,7aS)-4-[(Z)-2-(2-Bromo-5-methoxy-phenyl)-vinyl]-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-indene
SpectraBase Compound ID b7zqRadImz
InChI InChI=1S/C23H31BrO2/c1-22(2,3)26-21-13-11-19-16(7-6-14-23(19,21)4)8-9-17-15-18(25-5)10-12-20(17)24/h6-10,12,15-16,19,21H,11,13-14H2,1-5H3/b9-8-/t16-,19?,21-,23-/m0/s1
InChIKey IXSYFIYKIUDPJB-SCSFKODJSA-N
Mol Weight 419.4 g/mol
Molecular Formula C23H31BrO2
Exact Mass 418.150743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5G4aIktkI4
Name (1S,4S,7aS)-4-[(Z)-2-(2-Bromo-5-methoxy-phenyl)-vinyl]-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-indene
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Formula C23H31BrO2
InChI InChI=1S/C23H31BrO2/c1-22(2,3)26-21-13-11-19-16(7-6-14-23(19,21)4)8-9-17-15-18(25-5)10-12-20(17)24/h6-10,12,15-16,19,21H,11,13-14H2,1-5H3/b9-8-/t16-,19?,21-,23-/m0/s1
InChIKey IXSYFIYKIUDPJB-SCSFKODJSA-N
Molecular Weight 419.403 g/mol
SMILES [C@]12(C(CC[C@@]2(OC(C)(C)C)[H])[C@@](\C=C/c2c(ccc(c2)OC)Br)([H])C=CC1)C
SPLASH splash10-0aor-9380600000-b1a78f69a9848c0eced7
Source of Spectrum C-120-8976-23b
Synonyms 4-[2'-(2''-Bromo-5''-methoxyphenyl)vinyl]-1-(t-butoxy)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-indene
Wiley ID 1699851