Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H13NO3/c15-13(16)12-5-9-3-4-10(6-11(9)14-12)17-7-8-1-2-8/h3-6,8,14H,1-2,7H2,(H,15,16)
SMILES OC(=O)c1cc2c([nH]1)cc(cc2)OCC1CC1
InChI Key YFSWNWZGCZWOMI-UHFFFAOYSA-N
Molecular Formula C13H13NO3
Exact Mass 231.247 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YFSWNWZGCZWOMI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YFSWNWZGCZWOMI-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:20:47.656195
MetadataModified 2024-09-08T01:20:47.656201
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
139270854 PubChem
The data in this table is sourced from UniChem at EBI.