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/C13H21N3O/c1-10(2)16(11(3)4)15-14-12-6-8-13(17-5)9-7-12/h6-11H,1-5H3/b15-14+
SMILES COc1ccc(cc1)/N=N/N(C(C)C)C(C)C
InChI Key FDBVYQICXLAGQP-CCEZHUSRSA-N
Molecular Formula C13H21N3O
Exact Mass 235.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FDBVYQICXLAGQP-CCEZHUSRSA-N/NMR/1H/CDCL3/400
License URL
Source https://www.chemotion-repository.net/inchikey/FDBVYQICXLAGQP-CCEZHUSRSA-N/NMR/1H/CDCL3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:38:49.847771
MetadataModified 2024-09-07T12:00:22.807841
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL17375261 SureChEMBL
SCHEMBL18919354 SureChEMBL
The data in this table is sourced from UniChem at EBI.