Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
SMILES	CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChI Key	XMQSELBBYSAURN-UHFFFAOYSA-M
Exact Mass	385.277 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XMQSELBBYSAURN-UHFFFAOYSA-M/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XMQSELBBYSAURN-UHFFFAOYSA-M/CHMO0000593
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:04:15.015399
MetadataModified	2024-09-23T09:25:26.893643
MetadataPublished	2024-07-05

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : SVS-CCP-390 date : 20240411 starting time : 9.32 h instrument : spect label : CCP-376 id : 137612 Solvent : chloroform-D1 (CDCl3) temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : SVS-CCP-390 date : 20240411 starting time : 9.18 h instrument : spect label : CCP-376 id : 137612 Solvent : DMSO

Data-Source Molecule ID	Data-Source
CB5692318	ChemicalBook
CB3501775	ChemicalBook
6228-47-3	ACToR
531165	eMolecules
16076144	PubChem: Thomson Pharma
SCHEMBL164032	SureChEMBL
CHEMBL3334701	ChEMBL
MolPort-000-701-954	MolPort
80374	PubChem
MCULE-8389949160	Mcule
The data in this table is sourced from UniChem at EBI.