Dataset

distortionless enhancement with polarization transfer (DEPT)

Chemical Info

InChI	InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
SMILES	[Na]N(S(=O)(=O)c1ccc(cc1)C)Cl.O.O.O
InChI Key	NZYOAGBNMCVQIV-UHFFFAOYSA-N
Exact Mass	281.690 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NZYOAGBNMCVQIV-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NZYOAGBNMCVQIV-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:27:35.227139
MetadataModified	2024-09-23T09:26:11.100755
MetadataPublished	2024-08-08

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp135 Number of scans : 256 Title : SVS-CCP-1026 Date : 20240729 Start time : 18.58 h Instrument : spect Label : CCP-987 ID : 138223 Solvent : DMSO

Data-Source Molecule ID	Data-Source
CHLORAMINE-T TRIHYDRATE	rxnorm
HY-U00087	MedChemExpress
DTXSID6040795	EPA CompTox Dashboard
SCHEMBL353112	SureChEMBL
CHEMBL1591636	ChEMBL
6187295	eMolecules
25688756	eMolecules
7080-50-4	ACToR
PD099922	ProbesDrugs
517414	PubChem
4IU6VSV0EI	FDA SRS
MolPort-023-221-823	MolPort
CB6157601	ChemicalBook
The data in this table is sourced from UniChem at EBI.