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/C15H20O5/c1-18-12-7-5-11(6-8-14(16)17)10-13(12)20-15-4-2-3-9-19-15/h5,7,10,15H,2-4,6,8-9H2,1H3,(H,16,17)
SMILES COc1ccc(cc1OC1CCCCO1)CCC(=O)O
InChI Key QJNMGUDHLZDEAJ-UHFFFAOYSA-N
Molecular Formula C15H20O5
Exact Mass 280.316 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QJNMGUDHLZDEAJ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/QJNMGUDHLZDEAJ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:30:32.908535
MetadataModified 2024-09-07T12:42:12.132556
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427429 PubChem
The data in this table is sourced from UniChem at EBI.