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1,2-Bis[2-methyl-5-(2-(2-iodobenzoyl)ethenyl)thiophen-3-y]cyclopentene
SpectraBase Compound ID GPO6M9gn4bp
InChI InChI=1S/C33H26I2O2S2/c1-20-28(18-22(38-20)14-16-32(36)26-8-3-5-12-30(26)34)24-10-7-11-25(24)29-19-23(39-21(29)2)15-17-33(37)27-9-4-6-13-31(27)35/h3-6,8-9,12-19H,7,10-11H2,1-2H3/b16-14+,17-15+
InChIKey SEHXTXNYPULFDD-YXLFCKQPSA-N
Mol Weight 772.5 g/mol
Molecular Formula C33H26I2O2S2
Exact Mass 771.946362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IL7eBe7U0mx
Name 1,2-Bis[2-methyl-5-(2-(2-iodobenzoyl)ethenyl)thiophen-3-y]cyclopentene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H26I2O2S2
InChI InChI=1S/C33H26I2O2S2/c1-20-28(18-22(38-20)14-16-32(36)26-8-3-5-12-30(26)34)24-10-7-11-25(24)29-19-23(39-21(29)2)15-17-33(37)27-9-4-6-13-31(27)35/h3-6,8-9,12-19H,7,10-11H2,1-2H3/b16-14+,17-15+
InChIKey SEHXTXNYPULFDD-YXLFCKQPSA-N
Molecular Weight 772.498 g/mol
SMILES c1(C2=C(c3c(sc(c3)\C=C\C(c3c(I)cccc3)=O)C)CCC2)c(sc(c1)\C=C\C(c1c(I)cccc1)=O)C
SPLASH splash10-0ab9-0000000900-89f9c4a852c7be80aeaa
Source of Spectrum U1-2010-6036-13
Wiley ID 1664453