Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)
SMILES OCC1CCC(=O)N1
InChI Key HOBJEFOCIRXQKH-UHFFFAOYSA-N
Molecular Formula C5H9NO2
Exact Mass 115.130 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HOBJEFOCIRXQKH-UHFFFAOYSA-N/NMR/13C/MeOD/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/HOBJEFOCIRXQKH-UHFFFAOYSA-N/NMR/13C/MeOD/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:27:41.722481
MetadataModified 2024-09-07T14:09:38.409738
MetadataPublished 2015-10-30
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.428.142H Nikkaji
20037733 NMRShiftDB
CB61459061 ChemicalBook
HMDB0246731 Human Metabolome Database
558359 PubChem
4361853 eMolecules
50127730 PubChem: Thomson Pharma
SCHEMBL210598 SureChEMBL
DTXSID10339752 EPA CompTox Dashboard
MCULE-1498000761 Mcule
The data in this table is sourced from UniChem at EBI.