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cyclo-bis(butadiynyldiphenylurea)
SpectraBase Compound ID 3YUGOdyNoqF
InChI InChI=1S/C34H20N4O2/c39-33-35-29-21-9-5-17-25(29)13-1-2-14-26-18-6-10-22-30(26)36-34(40)38-32-24-12-8-20-28(32)16-4-3-15-27-19-7-11-23-31(27)37-33/h5-12,17-24H,(H2,35,37,39)(H2,36,38,40)
InChIKey IQXAOSCSJNXGHT-UHFFFAOYSA-N
Mol Weight 516.6 g/mol
Molecular Formula C34H20N4O2
Exact Mass 516.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbtbL3aL70k
Name cyclo-bis(butadiynyldiphenylurea)
Appearance Light yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H20N4O2
InChI InChI=1S/C34H20N4O2/c39-33-35-29-21-9-5-17-25(29)13-1-2-14-26-18-6-10-22-30(26)36-34(40)38-32-24-12-8-20-28(32)16-4-3-15-27-19-7-11-23-31(27)37-33/h5-12,17-24H,(H2,35,37,39)(H2,36,38,40)
InChIKey IQXAOSCSJNXGHT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.193
Molecular Weight 516.560 g/mol
SMILES N1C(Nc2ccccc2C#CC#Cc2ccccc2NC(Nc2ccccc2C#CC#Cc2c1cccc2)=O)=O
SPLASH splash10-0a7i-0090110000-cb1c3c7098b3af1664d0
Source of Spectrum BJO-10-SM6-2
Wiley ID 1853972