Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
InChI | InChI=1S/C12H12O5/c1-7(13)11-5-4-10(16-8(2)14)6-12(11)17-9(3)15/h4-6H,1-3H3 |
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SMILES | CC(=O)Oc1ccc(c(c1)OC(=O)C)C(=O)C |
InChI Key | FKSHOQTWUWCWTG-UHFFFAOYSA-N |
Exact Mass | 236.221 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/FKSHOQTWUWCWTG-UHFFFAOYSA-N/CHMO0000601 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FKSHOQTWUWCWTG-UHFFFAOYSA-N/CHMO0000601 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:12:29.303598 |
MetadataModified | 2024-09-16T13:42:50.420054 |
MetadataPublished |
Field | Value |
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Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
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