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(1S,2S)-1,2-Di(p-bromobenzoyloxy)-1-(3-[p-bromobenzoyloxy]-4-methoxyphenyl)-2-(3',4',5'-trimethoxy-phenyl)ethane

View entire compound with spectra: 1 MS (GC)

(1S,2S)-1,2-Di(p-bromobenzoyloxy)-1-(3-[p-bromobenzoyloxy]-4-methoxyphenyl)-2-(3',4',5'-trimethoxy-phenyl)ethane
SpectraBase Compound ID 39oHjDwZVVO
InChI InChI=1S/C39H31Br3O10/c1-46-30-18-11-25(19-31(30)50-37(43)22-5-12-27(40)13-6-22)34(51-38(44)23-7-14-28(41)15-8-23)35(52-39(45)24-9-16-29(42)17-10-24)26-20-32(47-2)36(49-4)33(21-26)48-3/h5-21,34-35H,1-4H3/t34-,35-/m0/s1
InChIKey LEHHNRQLOXIDJH-PXLJZGITSA-N
Mol Weight 899.4 g/mol
Molecular Formula C39H31Br3O10
Exact Mass 895.946736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wK6IMLgVFK
Name (1S,2S)-1,2-Di(p-bromobenzoyloxy)-1-(3-[p-bromobenzoyloxy]-4-methoxyphenyl)-2-(3',4',5'-trimethoxy-phenyl)ethane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H31Br3O10
InChI InChI=1S/C39H31Br3O10/c1-46-30-18-11-25(19-31(30)50-37(43)22-5-12-27(40)13-6-22)34(51-38(44)23-7-14-28(41)15-8-23)35(52-39(45)24-9-16-29(42)17-10-24)26-20-32(47-2)36(49-4)33(21-26)48-3/h5-21,34-35H,1-4H3/t34-,35-/m0/s1
InChIKey LEHHNRQLOXIDJH-PXLJZGITSA-N
Molecular Weight 899.379 g/mol
SMILES [C@@](c1cc(OC)c(c(c1)OC)OC)([C@@](OC(c1ccc(cc1)Br)=O)(c1cc(OC(c2ccc(cc2)Br)=O)c(cc1)OC)[H])(OC(c1ccc(cc1)Br)=O)[H]
SPLASH splash10-001i-0900000000-994fa9100d3ba4599941
Source of Spectrum F2-42-1462-4
Synonyms (1S,2S)-1,2-Di(p-bromobenzoyloxy)-1-(3-[p-bromobenzoyloxy]-4-methoxyphenyl)-2-(3',4',5'-trimethylphenyl)ethane (1S,2S)-2-[(4-bromophenyl)carbonyloxy]-2-{3-[(4-bromophenyl)carbonyloxy]-4-methoxyphenyl}-1-(3,4,5-trimethoxyphenyl)ethyl 4-bromobenzoate 4-bromobenzoic acid[5-[(1S,2S)-1,2-bis[(4-bromobenzoyl)oxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxy-phenyl]ester 4-bromobenzoic acid[5-[(1S,2S)-1,2-bis[(4-bromophenyl)-oxomethoxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenyl]ester [5-[(1S,2S)-1,2-bis[(4-bromobenzoyl)oxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxy-phenyl]4-bromobenzoate [5-[(1S,2S)-1,2-bis[(4-bromophenyl)carbonyloxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxy-phenyl]4-bromanylbenzoate 4-bromobenzoic acid [5-[(1S,2S)-1,2-bis[(4-bromophenyl)-oxomethoxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenyl] ester [5-[(1S,2S)-1,2-bis[(4-bromobenzoyl)oxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenyl] 4-bromobenzoate [5-[(1S,2S)-1,2-bis[(4-bromobenzoyl)oxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxy-phenyl] 4-bromobenzoate [5-[(1S,2S)-1,2-bis[(4-bromophenyl)carbonyloxy]-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxy-phenyl] 4-bromanylbenzoate
Wiley ID 1600091