Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+ |
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SMILES | c1ccc(cn1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1cccnc1)cc3/C=C/c1cccnc1)/C=C/c1cccnc1 |
InChI Key | KEZSCKXKKQRCAG-KUWVSJDVSA-N |
Molecular Formula | C44H36N4 |
Exact Mass | 620.783 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/KEZSCKXKKQRCAG-KUWVSJDVSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KEZSCKXKKQRCAG-KUWVSJDVSA-N/CHMO0000470 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:10:19.107364 |
MetadataModified | 2024-09-08T04:10:19.107369 |
MetadataPublished | 2024-07-10 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |