Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C15H13NO/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)9-11-10-17-11/h1-8,11H,9-10H2 |
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SMILES | c1ccc2c(c1)n(CC1CO1)c1c2cccc1 |
InChI Key | VAJIZAPXBKMPRO-UHFFFAOYSA-N |
Molecular Formula | C15H13NO |
Exact Mass | 223.270 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/VAJIZAPXBKMPRO-UHFFFAOYSA-N/NMR/1H/CDCl3/250 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/VAJIZAPXBKMPRO-UHFFFAOYSA-N/NMR/1H/CDCl3/250 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:04:35.084879 |
MetadataModified | 2024-09-07T13:32:52.848623 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
J228.089B | Nikkaji |
MCULE-6478357943 | Mcule |
20170573 | NMRShiftDB |
723926 | eMolecules |
15093072 | PubChem: Thomson Pharma |
SCHEMBL409180 | SureChEMBL |
DTXSID70379573 | EPA CompTox Dashboard |
2775507 | PubChem |
The data in this table is sourced from UniChem at EBI. |