heteronuclear single quantum coherence (HSQC)

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Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

InChI	InChI=1S/C7H9ClN2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,9-10H2,1H3
SMILES	Cc1cc(N)c(c(c1)Cl)N
InChI Key	UPFHQANNMQQOJI-UHFFFAOYSA-N
Exact Mass	156.613 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
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Metadata Information

Field	Value
DOI	10.14272/UPFHQANNMQQOJI-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/UPFHQANNMQQOJI-UHFFFAOYSA-N/CHMO0000604
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:30:49.637656
MetadataModified	2024-09-23T09:26:21.865236
MetadataPublished	2024-08-15
Related Molecule

Data-Source Molecule ID	Data-Source
SCHEMBL5505433	SureChEMBL
ZINC000059684263	ZINC
31262487	eMolecules
23131917	PubChem
The data in this table is sourced from UniChem at EBI.

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 300.1 K PULPROG : hsqcedetgp number of scans : 2 scans title : SG-V4085 (17-60) date : 20240126 starting time : 4.17 h instrument : spect label : SG-3492 id : 291369 Solvent : chloroform-D1 (CDCl3)