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(1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-2-(4-bromophenyl)-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID LyaCxcOKmiS
InChI InChI=1S/C26H27BrO8/c1-32-23(28)21(24(29)33-2)18-13-15-7-5-6-8-17(15)20(22(25(30)34-3)26(31)35-4)19(18)14-9-11-16(27)12-10-14/h5-12,18-22H,13H2,1-4H3/t18-,19+,20+/m1/s1
InChIKey NLIJSCGBIDWHDL-AABGKKOBSA-N
Mol Weight 547.4 g/mol
Molecular Formula C26H27BrO8
Exact Mass 546.088931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5kSpFWucWb
Name (1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-2-(4-bromophenyl)-1,2,3,4-tetrahydronaphthalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27BrO8
InChI InChI=1S/C26H27BrO8/c1-32-23(28)21(24(29)33-2)18-13-15-7-5-6-8-17(15)20(22(25(30)34-3)26(31)35-4)19(18)14-9-11-16(27)12-10-14/h5-12,18-22H,13H2,1-4H3/t18-,19+,20+/m1/s1
InChIKey NLIJSCGBIDWHDL-AABGKKOBSA-N
Literature Reference DOI 10.1002/anie.201306186
Molecular Weight 547.398 g/mol
SMILES c1([C@@]2([C@@](C(C(=O)OC)C(OC)=O)(c3ccccc3C[C@]2(C(C(=O)OC)C(OC)=O)[H])[H])[H])ccc(cc1)Br
SPLASH splash10-001i-9160000000-bf864824066417403654
Source of Spectrum ACI-53-SMS56-3n
Synonyms Tetramethyl 2,2'-((1S,2S,3R)-2-(4-bromophenyl)-1,2,3,4-tetrahydronaphthalene-1,3-diyl)dimalonate
Wiley ID 1781898