Dataset

distortionless enhancement with polarization transfer (DEPT)

Chemical Info

InChI	InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
SMILES	c1ccc2c(c1)Oc1c(N2)cccc1
InChI Key	TZMSYXZUNZXBOL-UHFFFAOYSA-N
Exact Mass	183.206 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TZMSYXZUNZXBOL-UHFFFAOYSA-N/CHMO0000596
License URL
Source	https://www.chemotion-repository.net/inchikey/TZMSYXZUNZXBOL-UHFFFAOYSA-N/CHMO0000596
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:58:13.491125
MetadataModified	2024-09-23T09:25:20.778619
MetadataPublished	2024-07-01

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp90 Number of scans : 256 Title : FAS-10H-Phenoxazine Date : 20240525 Start time : 8.12 h Instrument : spect Label : FAS-126 ID : 117351 Solvent : DMSO

Data-Source Molecule ID	Data-Source
94057	ChEBI
50012827	BindingDB
DTXSID10159199	EPA CompTox Dashboard
ZINC000000120208	ZINC
C2ZWT499SG	FDA SRS
CHEMBL276850	ChEMBL
CB7329656	ChemicalBook
15322123	PubChem: Thomson Pharma
161771	Brenda
J1.512A	Nikkaji
SCHEMBL7862	SureChEMBL
10016276	NMRShiftDB
VANVAL	CCDC
HMDB0256415	Human Metabolome Database
MCULE-1555650829	Mcule
67278	PubChem
135-67-1	ACToR
LSM-4657	LINCS
PD131184	ProbesDrugs
493108	eMolecules
The data in this table is sourced from UniChem at EBI.