Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
SMILES	CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChI Key	IKWKJIWDLVYZIY-UHFFFAOYSA-M
Exact Mass	399.304 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Go to source

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IKWKJIWDLVYZIY-UHFFFAOYSA-M/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/IKWKJIWDLVYZIY-UHFFFAOYSA-M/CHMO0000595
Version
Author	Jana Barylko
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-05-13T08:24:59Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Title : JBA-CCP-3740 Date : 20240604 Start time : 7.23 h Label : JBA-8 ID : 119357 Solvent : DMSO Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect Title : JBA-CCP-3740 Date : 20240604 Start time : 3.35 h Label : JBA-8 ID : 119357 Solvent : chloroform-D1 (CDCl3) Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect

Data-Source Molecule ID	Data-Source
CHEMBL4792223	chembl
1063	surechembl
159628	pubchem
97KU95HRS8	fdasrs
DTXSID90883581	comptox
The data in this table is sourced from UniChem at EBI.