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 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |