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1-[2-(6-Bromo-2-isopropoxy-3,4-dimethoxyphenyl)ethyl]-3,4-bis(4-isopropoxy-3-methoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid
SpectraBase Compound ID 48VpfOSWprH
InChI InChI=1S/C39H46BrNO11/c1-20(2)50-27-13-11-23(17-29(27)46-7)32-33(24-12-14-28(51-21(3)4)30(18-24)47-8)35(39(44)45)41(34(32)38(42)43)16-15-25-26(40)19-31(48-9)37(49-10)36(25)52-22(5)6/h11-14,17-22H,15-16H2,1-10H3,(H,42,43)(H,44,45)
InChIKey NNQZISUMOPBYKF-UHFFFAOYSA-N
Mol Weight 784.7 g/mol
Molecular Formula C39H46BrNO11
Exact Mass 783.225424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGMjBtfUPRo
Name 1-[2-(6-Bromo-2-isopropoxy-3,4-dimethoxyphenyl)ethyl]-3,4-bis(4-isopropoxy-3-methoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid
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Formula C39H46BrNO11
InChI InChI=1S/C39H46BrNO11/c1-20(2)50-27-13-11-23(17-29(27)46-7)32-33(24-12-14-28(51-21(3)4)30(18-24)47-8)35(39(44)45)41(34(32)38(42)43)16-15-25-26(40)19-31(48-9)37(49-10)36(25)52-22(5)6/h11-14,17-22H,15-16H2,1-10H3,(H,42,43)(H,44,45)
InChIKey NNQZISUMOPBYKF-UHFFFAOYSA-N
Molecular Weight 784.697 g/mol
SMILES OC(c1[n](c(C(=O)O)c(c1-c1cc(c(cc1)OC(C)C)OC)-c1cc(c(cc1)OC(C)C)OC)CCc1c(c(c(cc1Br)OC)OC)OC(C)C)=O
SPLASH splash10-014i-0000009000-8116dd4570bd141dc0e8
Source of Spectrum F4-0-3052-8
Wiley ID 1620699