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1,3-dibromo-5-(2,4,6-triisopropylphenyl)thieno[3,4-c]pyrrole-4,6-dione
SpectraBase Compound ID IDqzv6npBK3
InChI InChI=1S/C21H23Br2NO2S/c1-9(2)12-7-13(10(3)4)17(14(8-12)11(5)6)24-20(25)15-16(21(24)26)19(23)27-18(15)22/h7-11H,1-6H3
InChIKey LQWUHEQSIBEVPO-UHFFFAOYSA-N
Mol Weight 513.29 g/mol
Molecular Formula C21H23Br2NO2S
Exact Mass 510.981626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Jzm2N9STY
Name 1,3-dibromo-5-(2,4,6-triisopropylphenyl)thieno[3,4-c]pyrrole-4,6-dione
Appearance Pale brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.981626157 u
Formula C21H23Br2NO2S
InChI InChI=1S/C21H23Br2NO2S/c1-9(2)12-7-13(10(3)4)17(14(8-12)11(5)6)24-20(25)15-16(21(24)26)19(23)27-18(15)22/h7-11H,1-6H3
InChIKey LQWUHEQSIBEVPO-UHFFFAOYSA-N
Instrument Name JEOL JMS-DX303HF or JEOL TMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602392
Molecular Weight 513.288 g/mol
Quality 35
Reported Formula C21H23Br2NO2S
SMILES C1(N(C(C=2C1=C(SC2Br)Br)=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)=O
SPLASH splash10-0udi-0140490000-e6446eb41f2d1ad8dfe9
Source of Spectrum QE-22-SM15-N-2 (DOI: 10.1002/chem.201602392)
Thin-Layer Chromatography 0.80 (CH2Cl2)
Wiley ID 1903556