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/C12H14O4/c13-8-9-4-5-10(14)11(7-9)16-12-3-1-2-6-15-12/h4-5,7-8,12,14H,1-3,6H2
SMILES O=Cc1ccc(c(c1)OC1CCCCO1)O
InChI Key LOQKDMQVMLCSOS-UHFFFAOYSA-N
Molecular Formula C12H14O4
Exact Mass 222.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LOQKDMQVMLCSOS-UHFFFAOYSA-N/NMR/1H/CDCl3/600
License URL
Source https://www.chemotion-repository.net/inchikey/LOQKDMQVMLCSOS-UHFFFAOYSA-N/NMR/1H/CDCl3/600
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:25:44.635864
MetadataModified 2024-09-07T12:34:57.511710
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427416 PubChem
The data in this table is sourced from UniChem at EBI.