Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C12H12N2O3/c15-11(3-4-12(16)17)14-9-2-1-8-5-6-13-10(8)7-9/h1-2,5-7,13H,3-4H2,(H,14,15)(H,16,17) |
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SMILES | O=C(Nc1ccc2c(c1)[nH]cc2)CCC(=O)O |
InChI Key | QPAHTTFCCFCZPE-UHFFFAOYSA-N |
Molecular Formula | C12H12N2O3 |
Exact Mass | 232.235 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/QPAHTTFCCFCZPE-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QPAHTTFCCFCZPE-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Niklas Krappel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:25:08.838301 |
MetadataModified | 2024-09-08T01:25:08.838306 |
MetadataPublished | 2023-07-31 |
Field | Value |
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Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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19057823 | PubChem |
MCULE-6130359132 | Mcule |
ZINC000022863923 | ZINC |
MolPort-019-612-485 | MolPort |
The data in this table is sourced from UniChem at EBI. |