Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3 |
---|---|
SMILES | O=C(n1cccc1)OC(C)(C)C |
InChI Key | IZPYBIJFRFWRPR-UHFFFAOYSA-N |
Molecular Formula | C9H13NO2 |
Exact Mass | 167.205 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/IZPYBIJFRFWRPR-UHFFFAOYSA-N/CHMO0000596.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/IZPYBIJFRFWRPR-UHFFFAOYSA-N/CHMO0000596.1 |
Version | |
Author | Fabian Schönle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:33:13.469422 |
MetadataModified | 2024-09-08T04:33:13.469427 |
MetadataPublished | 2024-08-26 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL421871 | SureChEMBL |
5176-27-2 | ACToR |
16081317 | PubChem: Thomson Pharma |
507147 | eMolecules |
20037383 | NMRShiftDB |
643494 | PubChem |
ZINC000000396082 | ZINC |
DTXSID30349196 | EPA CompTox Dashboard |
J392.609E | Nikkaji |
CB4315199 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |