Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C8H7ClN2O/c1-12-7-4-2-6(3-5-7)8(9)10-11-8/h2-5H,1H3
SMILES	COc1ccc(cc1)C1(Cl)N=N1
InChI Key	SXAZXNYWEPKNNS-UHFFFAOYSA-N
Exact Mass	182.607 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:40:54.748457
MetadataModified	2024-09-23T09:24:24.252813
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Feb19-2024 date : 20240220 starting time : 7.34 h instrument : Avance NEO label : KT-737 id : 296140 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J574.211K	Nikkaji
11665508	PubChem
16769201	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.