Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Information

InChI	InChI=1S/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3
SMILES	COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)Cl
InChI Key	JBWYRBLDOOOJEU-UHFFFAOYSA-N
Exact Mass	338.827 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JBWYRBLDOOOJEU-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/JBWYRBLDOOOJEU-UHFFFAOYSA-N/CHMO0000604
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-08-24
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	date : 2025-08-13 starting time : 06:31:54 UTC creator : Fabian Schönle label : CCP-3740 id : 383757 Solvent : CDCl3 temperature : 298.071779034896 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
26862	surechembl
96831	pubchem
Molport-003-925-726	molport
The data in this table is sourced from UniChem at EBI.