Dataset
620-71-3.hmqc
Chemical Info
InChI | InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11) |
---|---|
SMILES | CCC(=O)NC1=CC=CC=C1 |
InChI Key | ZTHRQJQJODGZHV-UHFFFAOYSA-N |
Molecular Formula | C9H11NO |
Exact Mass | 149.190 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p10.s62.d296 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D296 |
Version | |
Author | |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:42:34.316220 |
MetadataModified | 2024-09-23T09:28:57.480691 |
MetadataPublished | 2022-10-28 13:30:58 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CB3206021 | ChemicalBook |
DTXSID0060721 | EPA CompTox Dashboard |
ZINC000000399967 | ZINC |
UYP5ZQI00T | FDA SRS |
SCHEMBL9706 | SureChEMBL |
620-71-3 | ACToR |
14992184 | PubChem: Thomson Pharma |
J6.825J | Nikkaji |
HMDB0255232 | Human Metabolome Database |
12107 | PubChem |
MCULE-9489768560 | Mcule |
20209268 | NMRShiftDB |
CHEMBL1870645 | ChEMBL |
1060361 | eMolecules |
The data in this table is sourced from UniChem at EBI. |