Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
SMILES NCCc1ccc(cc1)O
InChI Key DZGWFCGJZKJUFP-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DZGWFCGJZKJUFP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DZGWFCGJZKJUFP-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-16
Related Molecule
  • 4-(2-aminoethyl)phenol
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C00483 KEGG Ligand
    2150 Guide to Pharmacology
    CHEMBL11608 ChEMBL
    AEF PDBe
    15760 ChEBI
    2148 Guide to Pharmacology
    DB08841 DrugBank
    DTXSID2043874 EPA CompTox Dashboard
    2784 DrugCentral
    ZINC000000002233 ZINC
    J4.123H Nikkaji
    HY-W007606 MedChemExpress
    29135 BindingDB
    TYRAMINE DailyMed
    TYRAMINE rxnorm
    TYRAMINE clinicaltrials
    SENJEC CCDC
    PD002144 ProbesDrugs
    X8ZC7V0OX3 FDA SRS
    15321440 PubChem: Thomson Pharma
    51-67-2 ACToR
    LSM-19016 LINCS
    533064 eMolecules
    22261 Brenda
    48679 Brenda
    HMDB0000306 Human Metabolome Database
    CB7152784 ChemicalBook
    MTBLC15760 Metabolights
    7267 Brenda
    142674 Brenda
    280 Brenda
    20032299 NMRShiftDB
    MCULE-3986856320 Mcule
    SCHEMBL4111 SureChEMBL
    5610 PubChem
    The data in this table is sourced from UniChem at EBI.