Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H17NO4/c1-7(11)3-5-9(10(13)14)6-4-8(2)12/h7,9,11H,3-6H2,1-2H3/t7-,9-/m0/s1
SMILES C[C@@H](CC[C@H]([N+](=O)[O-])CCC(=O)C)O
InChI Key RUKZNVUNYWBTLV-CBAPKCEASA-N
Molecular Formula C9H17NO4
Exact Mass 203.236 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RUKZNVUNYWBTLV-CBAPKCEASA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RUKZNVUNYWBTLV-CBAPKCEASA-N/CHMO0000595
Version
Author Gudrun Gygli
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-07
Related Molecule
  • (5S,8S)-8-hydroxy-5-nitrononan-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155908639 PubChem
    The data in this table is sourced from UniChem at EBI.