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/C10H13NO/c1-3-11-10(12)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12)
SMILES CCNC(=O)c1ccccc1C
InChI Key HRJDPMNBBKGHKT-UHFFFAOYSA-N
Molecular Formula C10H13NO
Exact Mass 163.216 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HRJDPMNBBKGHKT-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/HRJDPMNBBKGHKT-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:27:49.707593
MetadataModified 2024-09-07T13:57:49.634292
MetadataPublished 2015-05-06
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
4060517 PubChem
ZINC000000406726 ZINC
DTXSID10398889 EPA CompTox Dashboard
MCULE-7893248731 Mcule
637142 eMolecules
SCHEMBL458942 SureChEMBL
The data in this table is sourced from UniChem at EBI.