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4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.
SpectraBase Compound ID 7eRA0Tn5Usx
InChI InChI=1S/C21H23ClO7/c1-9-15(24)20-8-19(9,22)6-4-11(20)21-7-5-12(28-10(2)23)18(3,17(27)29-21)14(21)13(20)16(25)26/h5,7,9,11-14H,4,6,8H2,1-3H3,(H,25,26)/t9?,11?,12-,13+,14?,18+,19?,20?,21+/m1/s1
InChIKey YWRYJUIKJDDTBK-QXJGPRBOSA-N
Mol Weight 422.86 g/mol
Molecular Formula C21H23ClO7
Exact Mass 422.113231 g/mol
Enantiomer InChIKey YWRYJUIKJDDTBK-UOZPREIGSA-N
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Source of Spectrum KC-1985-2745-38
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