Dataset
57946-61-9.hmqc
Chemical Info
InChI | InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2 |
---|---|
SMILES | NC1=CC=C(OCC(F)(F)F)C=C1 |
InChI Key | OXFDNUZWKFKMSB-UHFFFAOYSA-N |
Molecular Formula | C8H8F3NO |
Exact Mass | 191.150 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p10.s67.d354 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D354 |
Version | |
Author | |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:42:16.717610 |
MetadataModified | 2024-09-23T09:35:17.751829 |
MetadataPublished | 2022-10-28 13:30:58 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL9682 | SureChEMBL |
871203 | eMolecules |
2777119 | PubChem |
MCULE-7759311440 | Mcule |
DTXSID30380382 | EPA CompTox Dashboard |
CB31500157 | ChemicalBook |
60004996 | NMRShiftDB |
J2.992.212H | Nikkaji |
ZINC000002555218 | ZINC |
The data in this table is sourced from UniChem at EBI. |