Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C11H12ClNO2/c1-14-4-5-15-8-2-3-9-10(12)7-13-11(9)6-8/h2-3,6-7,13H,4-5H2,1H3 |
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SMILES | COCCOc1ccc2c(c1)[nH]cc2Cl |
InChI Key | ABNQQHIZTDQAJQ-UHFFFAOYSA-N |
Molecular Formula | C11H12ClNO2 |
Exact Mass | 225.671 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ABNQQHIZTDQAJQ-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ABNQQHIZTDQAJQ-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Niklas Krappel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:20:16.051806 |
MetadataModified | 2024-09-08T01:20:16.051812 |
MetadataPublished | 2023-07-31 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168433120 | PubChem |
The data in this table is sourced from UniChem at EBI. |