Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,11-13,15H2,1-3H3 |
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SMILES | CC(c1nc2n(c1Nc1cc3ccc1CCc1ccc(CC3)cc1)cccc2)(C)C |
InChI Key | DLPQSZHKSNBIBG-UHFFFAOYSA-N |
Molecular Formula | C27H29N3 |
Exact Mass | 395.539 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/DLPQSZHKSNBIBG-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DLPQSZHKSNBIBG-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:58:07.500632 |
MetadataModified | 2024-09-07T22:30:22.757648 |
MetadataPublished | 2022-07-25 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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164889664 | PubChem |
The data in this table is sourced from UniChem at EBI. |