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(1S,3aS,4S,7aS)-4-[(Z)-2-(2-bromanyl-5-methoxy-phenyl)ethenyl]-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,4,7-hexahydroindene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,3aS,4S,7aS)-4-[(Z)-2-(2-bromanyl-5-methoxy-phenyl)ethenyl]-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,4,7-hexahydroindene
SpectraBase Compound ID 32wkRqHOsIi
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-RQGJZDISSA-N
Mol Weight 419.4 g/mol
Molecular Formula C23H31BrO2
Exact Mass 418.150743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDZNPRD8z4A
Name (1S,3as,4S,7as)-4-[(Z)-2-(2-Bromanyl-5-methoxy-phenyl)ethenyl]-7A-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3A,4,7-hexahydroindene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.150743236 u
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-RQGJZDISSA-N
Molecular Weight 419.403 g/mol
SMILES [C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@@](\C=C/C=2C(=CC=C(C2)OC)Br)([H])C=CC1)[H])C