Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C36H28N4/c1-2-30-22-36(28-11-19-40-20-12-28)32(24-35(30)27-9-17-39-18-10-27)4-3-31-23-33(25-5-13-37-14-6-25)29(1)21-34(31)26-7-15-38-16-8-26/h5-24H,1-4H2 |
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SMILES | n1ccc(cc1)c1cc2CCc3cc(c(CCc1cc2c1ccncc1)cc3c1ccncc1)c1ccncc1 |
InChI Key | MRFMWLNWLYEWRZ-UHFFFAOYSA-N |
Molecular Formula | C36H28N4 |
Exact Mass | 516.634 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/MRFMWLNWLYEWRZ-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MRFMWLNWLYEWRZ-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:08:56.299490 |
MetadataModified | 2024-09-08T04:08:56.299496 |
MetadataPublished | 2024-07-10 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |