Dataset
Allantofuranone (1155308-25-0).cosy
Chemical Info
InChI | InChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3 |
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SMILES | COC1(CC(=O)C2=CC=CC=C2)OC(=O)C(O)=C1C1=CC=CC=C1 |
InChI Key | ZSQDINYGPVLTCM-UHFFFAOYSA-N |
Molecular Formula | C19H16O5 |
Exact Mass | 324.300 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p11.s72.d419 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D419 |
Version | |
Author | Schüffler A, Kautz D, Liermann JC, Opatz T, Anke T. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:46:33.905444 |
MetadataModified | 2024-09-23T09:35:41.709888 |
MetadataPublished | 2022-10-29 10:40:50 |
Field | Value |
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Measurement Technique | correlation spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
20204321 | NMRShiftDB |
42604569 | PubChem |
74377486 | PubChem: Thomson Pharma |
J2.707.696C | Nikkaji |
The data in this table is sourced from UniChem at EBI. |