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1,4-Ethanonaphthalene-6,7-dicarboxylic acid, 1,2,3,4,5,8-hexahydro-2-hydroxy-, dimethyl ester, (1.alpha.,2.beta.,4.alpha.)-

View entire compound with spectra: 1 MS (GC)

1,4-Ethanonaphthalene-6,7-dicarboxylic acid, 1,2,3,4,5,8-hexahydro-2-hydroxy-, dimethyl ester, (1.alpha.,2.beta.,4.alpha.)-
SpectraBase Compound ID 5SjAdWrbDJd
InChI InChI=1S/C16H20O5/c1-20-15(18)12-6-10-8-3-4-9(14(17)5-8)11(10)7-13(12)16(19)21-2/h8-9,14,17H,3-7H2,1-2H3/t8-,9-,14+/m0/s1
InChIKey SMPXMUDQPRQGOA-UINNMSKDSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H2ueBPqIRj
Name 1,4-Ethanonaphthalene-6,7-dicarboxylic acid, 1,2,3,4,5,8-hexahydro-2-hydroxy-, dimethyl ester, (1.alpha.,2.beta.,4.alpha.)-
Alternate Name(s) Dimethyl (1S,8S,9R)-9-hydroxytricyclo[6.2.2.0(2,7)]dodeca-2(7),4-diene-4,5-dicarboxylate Dimethyl 9endo-hydroxytricyclo[6.2.2.0(2,7)]dodeca-2(7),4-diene-4,5-dicarboxylate
CAS Registry Number 81872-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-20-15(18)12-6-10-8-3-4-9(14(17)5-8)11(10)7-13(12)16(19)21-2/h8-9,14,17H,3-7H2,1-2H3/t8-,9-,14+/m0/s1
InChIKey SMPXMUDQPRQGOA-UINNMSKDSA-N
Molecular Weight 292.331 g/mol
SMILES O[C@]1([C@@]2(C3=C(CC(=C(C3)C(=O)OC)C(=O)OC)[C@@]([H])(CC2)C1)[H])[H]
SPLASH splash10-016r-0890000000-c13d0ef3ab643c6a78a5
Source of Spectrum H-65-185-0
Wiley ID 1295375