Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

InChI	InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
SMILES	OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O
InChI Key	BPHPUYQFMNQIOC-NXRLNHOXSA-N
Molecular Formula	C9H18O5S
Exact Mass	238.301 g/mol

Data and Resources

Field	Value
DOI	10.14272/BPHPUYQFMNQIOC-NXRLNHOXSA-N/CHMO0000596
License URL
Source	https://www.chemotion-repository.net/inchikey/BPHPUYQFMNQIOC-NXRLNHOXSA-N/CHMO0000596
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:21:01.046380
MetadataModified	2025-01-29T16:14:11.195626
MetadataPublished	2024-11-08

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp90 Number of scans : 256 Title : SVS-CC06004 Date : 20240305 Start time : 10.47 h Instrument : spect Label : SVS-2873 ID : 298066 Solvent : MeOD

Data-Source Molecule ID	Data-Source
61448	ChEBI
CHEMBL1233651	ChEMBL
IPT	PDBe
HY-15921	MedChemExpress
DTXSID6041052	EPA CompTox Dashboard
DB01862	DrugBank
X73VV2246B	FDA SRS
FIVTAF	CCDC
J193.883E	Nikkaji
192770	BindingDB
144123	Brenda
144167	Brenda
CB2121723	ChemicalBook
211578	Brenda
210470	Brenda
ZINC000004261913	ZINC
21159	Brenda
9544	Brenda
32904	Brenda
10680	Brenda
47944	Brenda
4409	Brenda
49133	Brenda
12568	Brenda
656894	PubChem
60034005	NMRShiftDB
PD012500	ProbesDrugs
152013	Brenda
14798319	PubChem: Thomson Pharma
152045	Brenda
30323-26-3	ACToR
SCHEMBL25476	SureChEMBL
152030	Brenda
713443	eMolecules
29700192	eMolecules
The data in this table is sourced from UniChem at EBI.