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/C11H13NO2/c1-13-6-7-14-10-3-2-9-4-5-12-11(9)8-10/h2-5,8,12H,6-7H2,1H3
SMILES COCCOc1ccc2c(c1)[nH]cc2
InChI Key SBVYFFZCZSSGTG-UHFFFAOYSA-N
Molecular Formula C11H13NO2
Exact Mass 191.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SBVYFFZCZSSGTG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SBVYFFZCZSSGTG-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:12:52.590685
MetadataModified 2024-09-08T01:12:52.590690
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL9983791 SureChEMBL
67994893 PubChem
The data in this table is sourced from UniChem at EBI.