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2-{(1R,5s)-5-Isopropenyl-2-methyl-3-[(triethylsilyl)oxy]-2-cyclohexen-1-yl}-6-methoxy-3,4-dihydro-1(2H)-naphthalenone
SpectraBase Compound ID GbkXsBSfB4t
InChI InChI=1S/C27H40O3Si/c1-8-31(9-2,10-3)30-26-17-21(18(4)5)16-25(19(26)6)24-13-11-20-15-22(29-7)12-14-23(20)27(24)28/h12,14-15,21,24-25H,4,8-11,13,16-17H2,1-3,5-7H3/t21-,24?,25-/m0/s1
InChIKey VBNQRJZFGCLUII-BIYQJSDESA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H40O3Si
Exact Mass 440.274672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 800Geh2joWS
Name 2-{(1R,5S)-5-Isopropenyl-2-methyl-3-[(triethylsilyl)oxy]-2-cyclohexen-1-yl}-6-methoxy-3,4-dihydro-1(2H)-naphthalenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.274671680 u
Formula C27H40O3Si
InChI InChI=1S/C27H40O3Si/c1-8-31(9-2,10-3)30-26-17-21(18(4)5)16-25(19(26)6)24-13-11-20-15-22(29-7)12-14-23(20)27(24)28/h12,14-15,21,24-25H,4,8-11,13,16-17H2,1-3,5-7H3/t21-,24?,25-/m0/s1
InChIKey VBNQRJZFGCLUII-BIYQJSDESA-N
Molecular Weight 440.699 g/mol
SMILES [C@@]1(C(=C(O[Si](CC)(CC)CC)C[C@](C1)(C(=C)C)[H])C)(C1C(C=2C=CC(=CC2CC1)OC)=O)[H]