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1,4:5,8-Dimethanonaphthalen-2-ol, decahydro-9-(phenylmethoxy)-, acetate, (1.alpha.,2.alpha.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.,9R*)-
SpectraBase Compound ID 2w2cOp5c4us
InChI InChI=1S/C21H26O3/c1-12(22)24-17-10-16-18-14-7-8-15(9-14)19(18)20(17)21(16)23-11-13-5-3-2-4-6-13/h2-6,14-21H,7-11H2,1H3/t14-,15+,16-,17+,18-,19-,20+,21-/m1/s1
InChIKey AQKATIKAFKAZCI-QHHCJMLQSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BukeGhxJlMd
Name 1,4:5,8-Dimethanonaphthalen-2-ol, decahydro-9-(phenylmethoxy)-, acetate, (1.alpha.,2.beta.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.,9R*)-
CAS Registry Number 80183-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-12(22)24-17-10-16-18-14-7-8-15(9-14)19(18)20(17)21(16)23-11-13-5-3-2-4-6-13/h2-6,14-21H,7-11H2,1H3/t14-,15+,16-,17+,18-,19-,20+,21-/m1/s1
InChIKey AQKATIKAFKAZCI-QHHCJMLQSA-N
Molecular Weight 326.436 g/mol
SMILES [C@]12([C@]3([C@@]([C@@]4([H])C[C@@]3(CC4)[H])([H])[C@@]([C@]2(OCc2ccccc2)[H])([H])C[C@@]1(OC(=O)C)[H])[H])[H]
SPLASH splash10-0006-9700000000-7039a27e057be7c876ff
Source of Spectrum K-114-3345-0
Synonyms (1S,2R,3S,4S,6S,7S,8R,12R)-12-(benzyloxy)tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-4-yl acetate 4-,,inside''-acetoxy-11-anti-benzyloxy-endo,exo-tetracyclo[6.2.1.1(3,6).0(2,7)]dodecane 4-,,inside''-Acetoxy-11-anti-benzyloxy-endo,exo-tetracyclo[6.2.1.1(3,6).0(2,7)]dodecane
Wiley ID 1325095