1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image

InChI	InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3
SMILES	CCCCCCOC(=O)c1cccs1
InChI Key	PJYCYAKGVCZVQF-UHFFFAOYSA-N
Exact Mass	212.309 g/mol

Data and Resources

1H--13C heteronuclear single quantum coherence...HTML

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Metadata Information

Field	Value
DOI	10.14272/PJYCYAKGVCZVQF-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/PJYCYAKGVCZVQF-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : SVS-X28531 date : 20250214 starting time : 0.46 h label : SVS-3029 id : 343007 Solvent : chloroform-D1 (CDCl3) temperature : 300.1 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : spect

Data-Source Molecule ID	Data-Source
30526531	surechembl
574113	pubchem
The data in this table is sourced from UniChem at EBI.