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1,4-Methanonaphthalene-6-carboxylic acid, 1,2,3,4,5,8-hexahydro-3-hydroxy-, methyl ester, (1.alpha.,3.alpha.,4.alpha.)-
SpectraBase Compound ID JkVt4pvaq7N
InChI InChI=1S/C13H16O3/c1-16-13(15)7-2-3-9-8-5-11(10(9)4-7)12(14)6-8/h2,8,11-12,14H,3-6H2,1H3/t8-,11-,12+/m1/s1
InChIKey XKPIYSPHGYVXPE-FXAINCCUSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkNjFF7XTC0
Name 1,4-Methanonaphthalene-6-carboxylic acid, 1,2,3,4,5,8-hexahydro-3-hydroxy-, methyl ester, (1.alpha.,3.alpha.,4.alpha.)-
Alternate Name(s) Methyl (1R,8R,10S)-10-hydroxytricyclo[6.2.1.0(2,7)]undeca-2(7),4-diene-4-carboxylate Methyl 9exo- and 10exo-hydroxytricyclo[6.2.1.0(2,7)]undeca-2(7),4-diene-4-carboxylate
CAS Registry Number 70113-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-16-13(15)7-2-3-9-8-5-11(10(9)4-7)12(14)6-8/h2,8,11-12,14H,3-6H2,1H3/t8-,11-,12+/m1/s1
InChIKey XKPIYSPHGYVXPE-FXAINCCUSA-N
Molecular Weight 220.268 g/mol
SMILES O[C@@]1([C@]2(C3=C([C@]([H])(C2)C1)CC=C(C3)C(=O)OC)[H])[H]
SPLASH splash10-016r-1900000000-2017d60ac10b7ee4ba6d
Source of Spectrum H-65-199-0
Wiley ID 1219888