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/C9H15NO4/c1-7(11)3-5-9(10(13)14)6-4-8(2)12/h9H,3-6H2,1-2H3
SMILES CC(=O)CCC(N(=O)=O)CCC(=O)C
InChI Key DPTOJTZVUDTPEW-UHFFFAOYSA-N
Molecular Formula C9H15NO4
Exact Mass 201.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPTOJTZVUDTPEW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DPTOJTZVUDTPEW-UHFFFAOYSA-N/CHMO0000593
Version
Author Gudrun Gygli
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:27:53.351939
MetadataModified 2024-09-07T19:40:13.141743
MetadataPublished 2021-05-07
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16167383 PubChem: Thomson Pharma
11095657 PubChem
SCHEMBL20261755 SureChEMBL
DTXSID90455020 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.