Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C29H36N4O4/c1-2-3-16-31-21-27(35)33-17-10-15-25(33)29(37)32(19-23-13-8-5-9-14-23)20-26(34)30-24(28(31)36)18-22-11-6-4-7-12-22/h4-9,11-14,24-25H,2-3,10,15-21H2,1H3,(H,30,34)/t24-,25+/m0/s1 |
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SMILES | CCCCN1CC(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N[C@H](C1=O)Cc1ccccc1)Cc1ccccc1 |
InChI Key | AWXUQYPNUPWMFP-LOSJGSFVSA-N |
Molecular Formula | C29H36N4O4 |
Exact Mass | 504.621 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/AWXUQYPNUPWMFP-LOSJGSFVSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/AWXUQYPNUPWMFP-LOSJGSFVSA-N/CHMO0001146 |
Version | |
Author | Claudine Herlan |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:03:39.304124 |
MetadataModified | 2024-09-07T20:26:03.751840 |
MetadataPublished | 2021-09-23 |
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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156599672 | PubChem |
The data in this table is sourced from UniChem at EBI. |