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1,3-dibromo-5-(2,4,6-triisopropylphenyl)thieno[3,4-c]phosphole-4,6-dione
SpectraBase Compound ID LpbNkUVlWtz
InChI InChI=1S/C21H23Br2O2PS/c1-9(2)12-7-13(10(3)4)17(14(8-12)11(5)6)26-20(24)15-16(21(26)25)19(23)27-18(15)22/h7-11H,1-6H3
InChIKey IFHPBAZGBVVBHQ-UHFFFAOYSA-N
Mol Weight 530.25 g/mol
Molecular Formula C21H23Br2O2PS
Exact Mass 527.952314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjY7LeSTK6M
Name 1,3-dibromo-5-(2,4,6-triisopropylphenyl)thieno[3,4-c]phosphole-4,6-dione
Appearance Pale yellow solid
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Exact Mass 527.952314151 u
Formula C21H23Br2O2PS
InChI InChI=1S/C21H23Br2O2PS/c1-9(2)12-7-13(10(3)4)17(14(8-12)11(5)6)26-20(24)15-16(21(26)25)19(23)27-18(15)22/h7-11H,1-6H3
InChIKey IFHPBAZGBVVBHQ-UHFFFAOYSA-N
Instrument Name JEOL JMS-DX303HF or JEOL TMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602392
Molecular Weight 530.255 g/mol
Reported Formula C21H23Br2O2PS
SMILES C1(=C(C(=CC(=C1)C(C)C)C(C)C)P1C(C=2C(C1=O)=C(SC2Br)Br)=O)C(C)C
SPLASH splash10-001i-0070970000-223ade19e01404652c19
Source of Spectrum QE-22-SM5-2 (DOI: 10.1002/chem.201602392)
Thin-Layer Chromatography 0.80 (CH2Cl2/hexane, 7:3)
Wiley ID 1903550