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/C7H9NO2/c9-4-6-1-2-7(5-10)8-3-6/h1-3,9-10H,4-5H2
SMILES OCc1ccc(cn1)CO
InChI Key RSJLUZSZKJXUFJ-UHFFFAOYSA-N
Molecular Formula C7H9NO2
Exact Mass 139.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RSJLUZSZKJXUFJ-UHFFFAOYSA-N/NMR/1H/MeOD/300
License URL
Source https://www.chemotion-repository.net/inchikey/RSJLUZSZKJXUFJ-UHFFFAOYSA-N/NMR/1H/MeOD/300
Version
Author Joshua Kramer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:44:31.326750
MetadataModified 2024-09-07T13:03:04.432664
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
13730410 eMolecules
SCHEMBL4140258 SureChEMBL
ZINC000000336530 ZINC
820251 PubChem
The data in this table is sourced from UniChem at EBI.