Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C11H13NO2/c1-13-6-7-14-10-3-2-9-4-5-12-11(9)8-10/h2-5,8,12H,6-7H2,1H3 |
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SMILES | COCCOc1ccc2c(c1)[nH]cc2 |
InChI Key | SBVYFFZCZSSGTG-UHFFFAOYSA-N |
Molecular Formula | C11H13NO2 |
Exact Mass | 191.226 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/SBVYFFZCZSSGTG-UHFFFAOYSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/SBVYFFZCZSSGTG-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Niklas Krappel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:12:52.590685 |
MetadataModified | 2024-09-08T01:12:52.590690 |
MetadataPublished | 2023-07-31 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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SCHEMBL9983791 | SureChEMBL |
67994893 | PubChem |
The data in this table is sourced from UniChem at EBI. |