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/C9H10O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-6H,1-2H3
SMILES	O=Cc1c(OC)cccc1OC
InChI Key	WXSGQHKHUYTJNB-UHFFFAOYSA-N
Exact Mass	166.174 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
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Metadata Information

Field	Value
DOI	10.14272/WXSGQHKHUYTJNB-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/WXSGQHKHUYTJNB-UHFFFAOYSA-N/CHMO0000604
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:32:34.868398
MetadataModified	2024-09-23T09:26:36.386570
MetadataPublished	2024-08-20
Related Molecule

Data-Source Molecule ID	Data-Source
96404	PubChem
20033050	NMRShiftDB
MCULE-7095858705	Mcule
LIZLAJ	CCDC
DTXSID80187545	EPA CompTox Dashboard
ZINC000000159701	ZINC
J185.772J	Nikkaji
54P7CG8V99	FDA SRS
CB2134121	ChemicalBook
128273	Brenda
495370	eMolecules
3392-97-0	ACToR
SCHEMBL170690	SureChEMBL
15934939	PubChem: Thomson Pharma
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 : hsqcedetgp number of scans : 2 scans title : FAS-3392-97-0 date : 20240523 starting time : 10.55 h instrument : spect label : FAS-124 id : 117349 Solvent : chloroform-D1 (CDCl3)