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(1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-6-chloro-2-(3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID HLw2yNwPLK2
InChI InChI=1S/C26H26Cl2O8/c1-33-23(29)21(24(30)34-2)18-12-14-11-16(28)8-9-17(14)20(22(25(31)35-3)26(32)36-4)19(18)13-6-5-7-15(27)10-13/h5-11,18-22H,12H2,1-4H3/t18-,19+,20+/m1/s1
InChIKey AOZDABXILWVYQE-AABGKKOBSA-N
Mol Weight 537.39 g/mol
Molecular Formula C26H26Cl2O8
Exact Mass 536.100473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7InLuLZN7Dr
Name (1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-6-chloro-2-(3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene
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Formula C26H26Cl2O8
InChI InChI=1S/C26H26Cl2O8/c1-33-23(29)21(24(30)34-2)18-12-14-11-16(28)8-9-17(14)20(22(25(31)35-3)26(32)36-4)19(18)13-6-5-7-15(27)10-13/h5-11,18-22H,12H2,1-4H3/t18-,19+,20+/m1/s1
InChIKey AOZDABXILWVYQE-AABGKKOBSA-N
Literature Reference DOI 10.1002/anie.201306186
Molecular Weight 537.392 g/mol
SMILES c1(cc2C[C@]([C@@]([C@](c2cc1)(C(C(=O)OC)C(OC)=O)[H])(c1cccc(c1)Cl)[H])(C(C(=O)OC)C(=O)OC)[H])Cl
SPLASH splash10-05fr-4590000000-cd9961929b9c2d78aeb1
Source of Spectrum ACI-53-SMS31-3g
Synonyms Tetramethyl 2,2'-((1S,2S,3R)-6-chloro-2-(3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1,3-diyl)dimalonate
Wiley ID 1781892