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(-)-1,4-Dibromo-2,5-bis[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]vinyl}benzene

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

(-)-1,4-Dibromo-2,5-bis[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]vinyl}benzene
SpectraBase Compound ID 5f8e0qi5AFq
InChI InChI=1S/C38H52Br2O2/c1-35(2,3)41-33-19-17-29-25(11-9-21-37(29,33)7)13-15-27-23-32(40)28(24-31(27)39)16-14-26-12-10-22-38(8)30(26)18-20-34(38)42-36(4,5)6/h9-16,23-26,29-30,33-34H,17-22H2,1-8H3/b15-13-,16-14-/t25-,26-,29-,30-,33-,34-,37-,38-/m0/s1
InChIKey BSLSGKLZRDFRGH-BYGZLCNZSA-N
Mol Weight 700.6 g/mol
Molecular Formula C38H52Br2O2
Exact Mass 698.233407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxeNCBUmobH
Name (-)-1,4-dibromo-2,5-bis[(Z)-2-[(1S,3as,4S,7as)-1-tert-butoxy-7A-methyl-2,3,3A,4,7,7A-hexahydro-1H-inden-4-yl]vinyl}benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 698.233406912 u
Formula C38H52Br2O2
InChI InChI=1S/C38H52Br2O2/c1-35(2,3)41-33-19-17-29-25(11-9-21-37(29,33)7)13-15-27-23-32(40)28(24-31(27)39)16-14-26-12-10-22-38(8)30(26)18-20-34(38)42-36(4,5)6/h9-16,23-26,29-30,33-34H,17-22H2,1-8H3/b15-13-,16-14-/t25-,26-,29-,30-,33-,34-,37-,38-/m0/s1
InChIKey BSLSGKLZRDFRGH-BYGZLCNZSA-N
SMILES [C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@](\C=C/C=2C(=CC(=C(C2)Br)\C=C/[C@]2([C@]3([C@]([C@@](OC(C)(C)C)(CC3)[H])(C)CC=C2)[H])[H])Br)(C=CC1)[H])[H])C