Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C12H13NO/c1-2-9(1)8-14-11-4-3-10-5-6-13-12(10)7-11/h3-7,9,13H,1-2,8H2 |
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SMILES | c1cc2c([nH]1)cc(cc2)OCC1CC1 |
InChI Key | KWWQWJXYRBIHSZ-UHFFFAOYSA-N |
Molecular Formula | C12H13NO |
Exact Mass | 187.238 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/KWWQWJXYRBIHSZ-UHFFFAOYSA-N/CHMO0000596.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KWWQWJXYRBIHSZ-UHFFFAOYSA-N/CHMO0000596.1 |
Version | |
Author | Niklas Krappel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:17:57.511582 |
MetadataModified | 2024-09-08T01:17:57.511588 |
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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SCHEMBL19510727 | SureChEMBL |
132051809 | PubChem |
The data in this table is sourced from UniChem at EBI. |