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/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3
SMILES CCCCCCCCC(=O)c1ccco1
InChI Key IVMLTMNCNAILQF-UHFFFAOYSA-N
Molecular Formula C13H20O2
Exact Mass 208.297 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000593
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:00:23.608395
MetadataModified 2024-09-07T23:52:46.452667
MetadataPublished 2022-11-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
4323817 eMolecules
16203377 PubChem: Thomson Pharma
SCHEMBL4382929 SureChEMBL
J371.321K Nikkaji
3779043 PubChem
The data in this table is sourced from UniChem at EBI.