Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14?/m1/s1 |
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SMILES | [N-]=[N+]=N[C@H]1C(OC(=O)C)O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C |
InChI Key | QKGHBQJLEHAMKJ-GNMOMJPPSA-N |
Molecular Formula | C14H19N3O9 |
Exact Mass | 373.315 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QKGHBQJLEHAMKJ-GNMOMJPPSA-N/NMR/13C/CDCl3/150 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QKGHBQJLEHAMKJ-GNMOMJPPSA-N/NMR/13C/CDCl3/150 |
Version | |
Author | Benjamin Goerling |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:43:51.843032 |
MetadataModified | 2024-09-07T12:09:35.742406 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL2184272 | SureChEMBL |
15917400 | PubChem: Thomson Pharma |
222908 | Brenda |
CB1225011 | ChemicalBook |
MolPort-028-960-356 | MolPort |
J773.659B | Nikkaji |
10872412 | PubChem |
The data in this table is sourced from UniChem at EBI. |