Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C12H13ClN2O2/c1-2-17-11(16)7-8-15-10-6-4-3-5-9(10)14-12(15)13/h3-6H,2,7-8H2,1H3
SMILES	CCOC(=O)CCn1c(Cl)nc2c1cccc2
InChI Key	PKJVCRSXEHREDB-UHFFFAOYSA-N
Molecular Formula	C12H13ClN2O2
Exact Mass	252.697 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PKJVCRSXEHREDB-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source	https://www.chemotion-repository.net/inchikey/PKJVCRSXEHREDB-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:29:40.998365
MetadataModified	2024-09-07T14:00:31.586518
MetadataPublished	2015-05-12

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
677130	PubChem
ZINC000000040650	ZINC
The data in this table is sourced from UniChem at EBI.