Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C22H12O4/c23-11-14-4-3-5-15(12-24)20(14)13-8-9-18-19(10-13)22(26)17-7-2-1-6-16(17)21(18)25/h1-12H |
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SMILES | O=Cc1cccc(c1c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)C=O |
InChI Key | UQRXETXIMQBLAI-UHFFFAOYSA-N |
Molecular Formula | C22H12O4 |
Exact Mass | 340.328 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/UQRXETXIMQBLAI-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UQRXETXIMQBLAI-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:41:07.292986 |
MetadataModified | 2024-09-08T01:41:07.292992 |
MetadataPublished | 2023-10-02 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168665436 | PubChem |
The data in this table is sourced from UniChem at EBI. |