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/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3
SMILES CCCCCCCCCCCCC(=O)c1ccco1
InChI Key AUBNJEAJFRJWQJ-UHFFFAOYSA-N
Molecular Formula C17H28O2
Exact Mass 264.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AUBNJEAJFRJWQJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AUBNJEAJFRJWQJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:59:33.945736
MetadataModified 2024-09-07T23:51:43.719673
MetadataPublished 2022-11-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
13464345 PubChem
J397.286K Nikkaji
SCHEMBL18825664 SureChEMBL
The data in this table is sourced from UniChem at EBI.