Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C7H5ClN2/c8-7(9-10-7)6-4-2-1-3-5-6/h1-5H
SMILES	ClC1(N=N1)c1ccccc1
InChI Key	VWAYXULOLUTAHI-UHFFFAOYSA-N
Exact Mass	152.581 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VWAYXULOLUTAHI-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/VWAYXULOLUTAHI-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:40:31.816236
MetadataModified	2024-09-23T09:24:22.629155
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 : Jan04-2024 date : 20240104 starting time : 22.08 h instrument : Avance NEO label : KT-627 id : 289345 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
15934683	PubChem: Thomson Pharma
J315.103D	Nikkaji
10888109	PubChem
The data in this table is sourced from UniChem at EBI.