Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C44H36N4/c1(33-13-21-45-22-14-33)5-37-29-42-11-12-44-32-39(7-3-35-17-25-47-26-18-35)43(31-40(44)8-4-36-19-27-48-28-20-36)10-9-41(37)30-38(42)6-2-34-15-23-46-24-16-34/h1-8,13-32H,9-12H2/b5-1+,6-2+,7-3+,8-4+ |
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SMILES | n1ccc(cc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccncc1)cc3/C=C/c1ccncc1)/C=C/c1ccncc1 |
InChI Key | SYMSPZWKXLLTQK-VYUKIJHXSA-N |
Molecular Formula | C44H36N4 |
Exact Mass | 620.783 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/SYMSPZWKXLLTQK-VYUKIJHXSA-N/CHMO0000470.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/SYMSPZWKXLLTQK-VYUKIJHXSA-N/CHMO0000470.1 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:09:07.756749 |
MetadataModified | 2024-09-08T04:09:07.756754 |
MetadataPublished | 2024-07-10 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |