Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
SMILES	Clc1ccc(cc1)C(=O)C(=O)c1ccccc1
InChI Key	QDCKVAZDINMMHO-UHFFFAOYSA-N
Exact Mass	244.673 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QDCKVAZDINMMHO-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QDCKVAZDINMMHO-UHFFFAOYSA-N/CHMO0000595
Version
Author	Sarah Wulff
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-02-03
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-06-16 Start time : 21:02:52 UTC Creator : Aleksandra Vranic Label : SAW-26 ID : 312095 Solvent : CDCl3 Temperature : 298.0009 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEMBL192180	chembl
912515	surechembl
89801	pubchem
NX93J5ZDB7	fdasrs
PD178966	probes_and_drugs
240179	brenda
79582	brenda
41038	bindingdb
41098	bindingdb
41158	bindingdb
41218	bindingdb
41278	bindingdb
51008002	bindingdb
Molport-001-763-274	molport
The data in this table is sourced from UniChem at EBI.