heteronuclear single quantum coherence (HSQC)

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The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

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Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

InChI	InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3
SMILES	Cc1cc(C)c(c(c1)C)N
InChI Key	KWVPRPSXBZNOHS-UHFFFAOYSA-N
Exact Mass	135.206 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
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Metadata Information

Field	Value
DOI	10.14272/KWVPRPSXBZNOHS-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/KWVPRPSXBZNOHS-UHFFFAOYSA-N/CHMO0000604
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:20:40.320010
MetadataModified	2024-09-23T09:25:44.848807
MetadataPublished	2024-08-07
Related Molecule

Data-Source Molecule ID	Data-Source
YIR5CRL5BG	FDA SRS
6913	PubChem
MCULE-7962867731	Mcule
SCHEMBL139002	SureChEMBL
20035541	NMRShiftDB
CB5410640	ChemicalBook
15140964	PubChem: Thomson Pharma
88-05-1	ACToR
480657	eMolecules
JALJUC	CCDC
J4.286B	Nikkaji
82545	ChEBI
ZINC000001555241	ZINC
DTXSID5043847	EPA CompTox Dashboard
C19540	KEGG Ligand
The data in this table is sourced from UniChem at EBI.

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : FAS-MesNU2 date : 20240727 starting time : 8.19 h instrument : spect label : CCP-3578 id : 318917 Solvent : chloroform-D1 (CDCl3)