Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C11H12N2O/c1-2-11(14)13-9-4-3-8-5-6-12-10(8)7-9/h3-7,12H,2H2,1H3,(H,13,14) |
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SMILES | CCC(=O)Nc1ccc2c(c1)[nH]cc2 |
InChI Key | JNOAJNPHSRRUCY-UHFFFAOYSA-N |
Molecular Formula | C11H12N2O |
Exact Mass | 188.226 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/JNOAJNPHSRRUCY-UHFFFAOYSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JNOAJNPHSRRUCY-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Niklas Krappel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:15:45.054844 |
MetadataModified | 2024-09-08T01:15:45.054849 |
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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110730788 | PubChem |
The data in this table is sourced from UniChem at EBI. |