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/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3
SMILES CCOC(=O)c1cc2c([nH]1)cc(cc2)OCC1CC1
InChI Key XSKANNIFUURLJU-UHFFFAOYSA-N
Molecular Formula C15H17NO3
Exact Mass 259.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XSKANNIFUURLJU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XSKANNIFUURLJU-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:25:33.609758
MetadataModified 2024-09-08T01:25:33.609764
MetadataPublished 2023-07-31
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
168433115 PubChem
The data in this table is sourced from UniChem at EBI.