Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H10N2O2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-5H,9H2,1H3,(H,10,11)
SMILES COc1ccc(cc1NC=O)N
InChI Key GAPCMYIHVRFISC-UHFFFAOYSA-N
Molecular Formula C8H10N2O2
Exact Mass 166.177 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GAPCMYIHVRFISC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GAPCMYIHVRFISC-UHFFFAOYSA-N/CHMO0000593
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:50:28.666750
MetadataModified 2024-09-07T23:39:41.970553
MetadataPublished 2022-11-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID60455335 EPA CompTox Dashboard
ZINC000022062155 ZINC
16526309 eMolecules
16178672 PubChem: Thomson Pharma
SCHEMBL5223314 SureChEMBL
11105716 PubChem
The data in this table is sourced from UniChem at EBI.