Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C28H24BrOP/c29-27-19-21-11-15-23(27)16-12-22-14-18-24(17-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-11,14-15,18-20H,12-13,16-17H2
SMILES	Brc1cc2CCc3ccc(CCc1cc2)cc3P(=O)(c1ccccc1)c1ccccc1
InChI Key	FEDJQHYSUPDZQW-UHFFFAOYSA-N
Molecular Formula	C28H24BrOP
Exact Mass	487.367 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FEDJQHYSUPDZQW-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source	https://www.chemotion-repository.net/inchikey/FEDJQHYSUPDZQW-UHFFFAOYSA-N/CHMO0000595.1
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:09:05.488450
MetadataModified	2024-09-07T16:36:58.286285
MetadataPublished	2020-02-15

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
23421877	PubChem
JALMES	CCDC
The data in this table is sourced from UniChem at EBI.