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/C11H16N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,13,14)
SMILES CCCNC(=O)NCc1ccccc1
InChI Key ZDZFEBBLXUPXFV-UHFFFAOYSA-N
Molecular Formula C11H16N2O
Exact Mass 192.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZDZFEBBLXUPXFV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZDZFEBBLXUPXFV-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:26:08.285952
MetadataModified 2024-09-08T00:26:12.652312
MetadataPublished 2023-02-23
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
10631604 PubChem
15662287 PubChem: Thomson Pharma
SCHEMBL1134902 SureChEMBL
J998.916A Nikkaji
ZINC000005951891 ZINC
The data in this table is sourced from UniChem at EBI.