Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C29H30N3.C18H15P.ClH.Pd/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-5,8-12,16,18-19,25,30H,1-3,6-7,13-15,17H2;1-15H;1H;/q;;;+1/p-1 |
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SMILES | c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Pd]c1c2CCc3ccc(CCc(c1c1nc4n(c1NC1CCCCC1)cccc4)cc2)cc3 |
InChI Key | LRHQVSJDOPYCOR-UHFFFAOYSA-M |
Molecular Formula | C47H45ClN3PPd |
Exact Mass | 824.727 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/LRHQVSJDOPYCOR-UHFFFAOYSA-M/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/LRHQVSJDOPYCOR-UHFFFAOYSA-M/CHMO0001146 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:58:49.282205 |
MetadataModified | 2024-09-07T22:31:20.381057 |
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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No additional information available for this Dataset. |