Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C36H23N3/c1-5-13-33-25(9-1)26-10-2-6-14-34(26)38(33)23-17-19-31-29(21-23)30-22-24(18-20-32(30)37-31)39-35-15-7-3-11-27(35)28-12-4-8-16-36(28)39/h1-22,37H |
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SMILES | c1ccc2c(c1)n(c1ccc3c(c1)c1cc(ccc1[nH]3)n1c3ccccc3c3c1cccc3)c1c2cccc1 |
InChI Key | OGDZAJUZGODBKX-UHFFFAOYSA-N |
Molecular Formula | C36H23N3 |
Exact Mass | 497.588 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/OGDZAJUZGODBKX-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OGDZAJUZGODBKX-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Pit Turpel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-05-11T02:03:00.640519 |
MetadataModified | 2025-05-11T02:08:47.457086 |
MetadataPublished | 2025-05-08 |
Related Molecule |
|
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
81046557 | PubChem: Thomson Pharma |
SCHEMBL45708 | SureChEMBL |
12103890 | PubChem |
ZINC000112991119 | ZINC |
CB12728734 | ChemicalBook |
J1.928.487E | Nikkaji |
The data in this table is sourced from UniChem at EBI. |