Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
InChI | InChI=1S/C12H9I3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3 |
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SMILES | COC(=O)c1c(I)c(C(=O)OC)c(c(c1I)C(=O)OC)I |
InChI Key | QZCCCFBMZZXBEE-UHFFFAOYSA-N |
Molecular Formula | C12H9I3O6 |
Exact Mass | 629.910 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/QZCCCFBMZZXBEE-UHFFFAOYSA-N/CHMO0000601 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QZCCCFBMZZXBEE-UHFFFAOYSA-N/CHMO0000601 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:03:20.626747 |
MetadataModified | 2024-09-08T02:03:20.626753 |
MetadataPublished | 2023-12-05 |
Field | Value |
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Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |