Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C36H28OP2.C12H8N3S.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9;/h1-28H;1-8H;/q;-1;+1/b;14-8+; |
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SMILES | c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Cu]n1cccc1/C=N/c1nc2c(s1)cccc2 |
InChI Key | XWYMULSFAJAODR-TXTNVABFSA-N |
Exact Mass | 828.377 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001146 |
Version | |
Author | Valentina Ferraro |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:16:54.051357 |
MetadataModified | 2024-09-23T09:22:48.211147 |
MetadataPublished | 2024-04-17 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
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Data-Source Molecule ID | Data-Source |
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No additional information available for this Dataset. |