Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

InChI	InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
SMILES	SCC(C(CS)O)O
InChI Key	VHJLVAABSRFDPM-UHFFFAOYSA-N
Molecular Formula	C4H10O2S2
Exact Mass	154.251 g/mol

Data and Resources

Field	Value
DOI	10.14272/VHJLVAABSRFDPM-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/VHJLVAABSRFDPM-UHFFFAOYSA-N/CHMO0001148
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:19:41.237885
MetadataModified	2025-01-29T16:12:48.520032
MetadataPublished	2024-11-08
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : SVS-CC06013 date : 20240305 starting time : 14.17 h instrument : spect label : SVS-2872 id : 298065 Solvent : D2O

Data-Source Molecule ID	Data-Source
MCULE-7432075835	Mcule
J307.897C	Nikkaji
HMDB0251493	Human Metabolome Database
LSM-36870	LINCS
18320	ChEBI
25189	ChEBI
CHEMBL47903	ChEMBL
19001	PubChem
PD040449	ProbesDrugs
256603	Brenda
16935602	PubChem: Thomson Pharma
7634-42-6	ACToR
214119-27-4	ACToR
6892-68-8	ACToR
16096-97-2	ACToR
3483-12-3	ACToR
884566	eMolecules
18320	Rhea
CB6342919	ChemicalBook
DTXSID80859811	EPA CompTox Dashboard
MTBLC18320	Metabolights
6514	Brenda
90419	Brenda
SCHEMBL87345	SureChEMBL
20097221	NMRShiftDB
The data in this table is sourced from UniChem at EBI.