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(2.alpha.,4a.alpha.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran

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

(2.alpha.,4a.alpha.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran
SpectraBase Compound ID KMWHnlY3iA4
InChI InChI=1S/C13H23BrO/c1-9-5-6-10-12(2,3)11(14)7-8-13(10,4)15-9/h9-11H,5-8H2,1-4H3/t9-,10+,11-,13-/m0/s1
InChIKey ZFSNDXGLMCWFPT-NOHGZBONSA-N
Mol Weight 275.23 g/mol
Molecular Formula C13H23BrO
Exact Mass 274.093228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUONtR7QNXj
Name (2.alpha.,4A.alpha.,6.alpha.,8A.alpha.)-(.+-.)-6-bromooctahydro-2,5,5,8A-tetramethyl-2H-1-benzopyran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.093228360 u
Formula C13H23BrO
InChI InChI=1S/C13H23BrO/c1-9-5-6-10-12(2,3)11(14)7-8-13(10,4)15-9/h9-11H,5-8H2,1-4H3/t9-,10+,11-,13-/m0/s1
InChIKey ZFSNDXGLMCWFPT-NOHGZBONSA-N
Molecular Weight 275.230 g/mol
SMILES [C@@]12([C@@](C(C)(C)[C@](CC2)(Br)[H])(CC[C@@](O1)(C)[H])[H])C