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1,3-bis([2,2???-bithiophen]-5-yl)-5-(2,4,6-triisopropylphenyl)thieno-[3,4-c]phosphole-4,6-dione
SpectraBase Compound ID JOM9ccCT34R
InChI InChI=1S/C37H33O2PS5/c1-19(2)22-17-23(20(3)4)33(24(18-22)21(5)6)40-36(38)31-32(37(40)39)35(30-14-12-28(44-30)26-10-8-16-42-26)45-34(31)29-13-11-27(43-29)25-9-7-15-41-25/h7-21H,1-6H3
InChIKey CKDDQUGXKZKKAL-UHFFFAOYSA-N
Mol Weight 700.9 g/mol
Molecular Formula C37H33O2PS5
Exact Mass 700.082173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzNtjAptTAe
Name 1,3-bis([2,2???-bithiophen]-5-yl)-5-(2,4,6-triisopropylphenyl)thieno-[3,4-c]phosphole-4,6-dione
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 700.082173169 u
Formula C37H33O2PS5
InChI InChI=1S/C37H33O2PS5/c1-19(2)22-17-23(20(3)4)33(24(18-22)21(5)6)40-36(38)31-32(37(40)39)35(30-14-12-28(44-30)26-10-8-16-42-26)45-34(31)29-13-11-27(43-29)25-9-7-15-41-25/h7-21H,1-6H3
InChIKey CKDDQUGXKZKKAL-UHFFFAOYSA-N
Instrument Name JEOL JMS-DX303HF or JEOL TMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602392
Molecular Weight 700.943 g/mol
Reported Formula C37H33O2PS5
SMILES C1(=C(C(=CC(=C1)C(C)C)C(C)C)P1C(C=2C(C1=O)=C(SC2C=1SC(=CC1)C1=CC=CS1)C1=CC=C(S1)C=1SC=CC1)=O)C(C)C
SPLASH splash10-0udi-0000201900-db92e666b1c3a623ec7e
Source of Spectrum QE-22-SM7-4 (DOI: 10.1002/chem.201602392)
Thin-Layer Chromatography 0.76 (CH2Cl2/hexane, 7:3)
Wiley ID 1903553