Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C13H9IO3/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,13,17H |
---|---|
SMILES | O=C1C=CC(=O)C(=C1)C(c1ccccc1I)O |
InChI Key | QNFHKZQFACQVJF-UHFFFAOYSA-N |
Molecular Formula | C13H9IO3 |
Exact Mass | 340.113 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QNFHKZQFACQVJF-UHFFFAOYSA-N/NMR/13C/CDCl3/75 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QNFHKZQFACQVJF-UHFFFAOYSA-N/NMR/13C/CDCl3/75 |
Version | |
Author | Tim Wezeman |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:05:07.281665 |
MetadataModified | 2024-09-07T13:33:39.092515 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
73427509 | PubChem |
The data in this table is sourced from UniChem at EBI. |