Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Information
| InChI | InChI=1S/C44H27ClN4/c45-44-27-46-38-25-36(28-17-21-30(22-18-28)48-40-13-5-1-9-32(40)33-10-2-6-14-41(33)48)37(26-39(38)47-44)29-19-23-31(24-20-29)49-42-15-7-3-11-34(42)35-12-4-8-16-43(35)49/h1-27H |
|---|---|
| SMILES | Clc1cnc2c(n1)cc(c(c2)c1ccc(cc1)n1c2ccccc2c2c1cccc2)c1ccc(cc1)n1c2ccccc2c2c1cccc2 |
| InChI Key | DLRKWDXNOGELBD-UHFFFAOYSA-N |
| Exact Mass | 647.165 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/DLRKWDXNOGELBD-UHFFFAOYSA-N/CHMO0001146 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/DLRKWDXNOGELBD-UHFFFAOYSA-N/CHMO0001146 |
| Version | |
| Author | Laura Holzhauer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-03-16 |
| Related Molecule |
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| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear single quantum coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |