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/C13H24O4/c1-2-3-4-5-6-7-8-9-10-17-13(16)11-12(14)15/h2-11H2,1H3,(H,14,15)
SMILES CCCCCCCCCCOC(=O)CC(=O)O
InChI Key NFJLFLMILACWJR-UHFFFAOYSA-N
Molecular Formula C13H24O4
Exact Mass 244.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NFJLFLMILACWJR-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/NFJLFLMILACWJR-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:51:21.044784
MetadataModified 2024-09-07T13:13:07.285994
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
454073 PubChem
SCHEMBL3711324 SureChEMBL
The data in this table is sourced from UniChem at EBI.