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12-Ethoxy-11-ethoxycarbonyl-9,10-dihydro-9,10-ethanoanthracene
SpectraBase Compound ID LIydeAHy7mk
InChI InChI=1S/C21H22O3/c1-3-23-20-18-15-11-7-5-9-13(15)17(19(20)21(22)24-4-2)14-10-6-8-12-16(14)18/h5-12,17-20H,3-4H2,1-2H3/t17-,18+,19-,20?/m0/s1
InChIKey JANTZLVPEHUPIR-COHPWVSRSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVfVpdNp0Z2
Name 12-Ethoxy-11-ethoxycarbonyl-9,10-dihydro-9,10-ethanoanthracene
Alternate Name(s) (9S,10S,12R)-ethyl 11-ethoxy-9,10-dihydro-9,10-ethanoanthracene-12-carboxylate
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Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-3-23-20-18-15-11-7-5-9-13(15)17(19(20)21(22)24-4-2)14-10-6-8-12-16(14)18/h5-12,17-20H,3-4H2,1-2H3/t17-,18+,19-,20?/m0/s1
InChIKey JANTZLVPEHUPIR-COHPWVSRSA-N
Literature Reference DOI 10.1002/prac.19973390168
Molecular Weight 322.404 g/mol
SMILES [C@]12(c3c(cccc3)[C@@](c3c1cccc3)(C([C@]2(C(OCC)=O)[H])OCC)[H])[H]
SPLASH splash10-0059-5910000000-5c3c8989a677843ba8de
Source of Spectrum JF-399-392-4b
Wiley ID 1768374