Dataset
mass spectrometry (MS) (2-octoxy-3-[(E)-2-[3-[(E)-2-[3-[(E)-2-[4-[(E)-2-[3-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]phenyl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxaline)
Chemical Info
InChI | InChI=1S/C82H74N12O2/c1-3-5-7-9-11-25-55-95-81-79(91-67-35-21-23-37-69(67)93-81)53-51-77-75(87-63-31-17-19-33-65(63)89-77)49-47-73-71(83-59-27-13-15-29-61(59)85-73)45-43-57-39-41-58(42-40-57)44-46-72-74(86-62-30-16-14-28-60(62)84-72)48-50-76-78(90-66-34-20-18-32-64(66)88-76)52-54-80-82(96-56-26-12-10-8-6-4-2)94-70-38-24-22-36-68(70)92-80/h13-24,27-54H,3-12,25-26,55-56H2,1-2H3/b45-43+,46-44+,49-47+,50-48+,53-51+,54-52+ |
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SMILES | CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2nc3ccccc3nc2/C=C/c2nc3ccccc3nc2OCCCCCCCC)cc1 |
InChI Key | RILUGTBEHOYOEG-LIPFPYFHSA-N |
Molecular Formula | C82H74N12O2 |
Exact Mass | 1259.576 g/mol |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/RILUGTBEHOYOEG-LIPFPYFHSA-N.1
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
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Version | |
Author | Klein, Jérôme |
Maintainer | chemotion.net |
Language | en |
MetadataCreated | 2022-10-06T14:15:05.210965 |
MetadataModified | 2022-10-06T14:15:05.210970 |
MetadataPublished |
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Measurement Technique | |
Measurement Variables |