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/C11H13NO3/c1-8-2-5-10(6-11(8)12(13)14)15-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
SMILES [O-][N+](=O)c1cc(OCC2CC2)ccc1C
InChI Key NIRHPYIZGJDJAC-UHFFFAOYSA-N
Molecular Formula C11H13NO3
Exact Mass 207.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NIRHPYIZGJDJAC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NIRHPYIZGJDJAC-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:20:52.239207
MetadataModified 2024-09-08T01:20:52.239212
MetadataPublished 2023-07-31
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
57517515 PubChem
SCHEMBL2552169 SureChEMBL
MCULE-9499967754 Mcule
The data in this table is sourced from UniChem at EBI.