Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C22H18BrO3P/c1-25-27(24,26-2)20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h3-14H,1-2H3
SMILES	COP(=O)(c1ccc2c(c1c1c(Br)ccc3c1cccc3)cccc2)OC
InChI Key	BXJCTHVLVSCBIG-UHFFFAOYSA-N
Molecular Formula	C22H18BrO3P
Exact Mass	441.254 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BXJCTHVLVSCBIG-UHFFFAOYSA-N/CHMO0000480
License URL
Source	https://www.chemotion-repository.net/inchikey/BXJCTHVLVSCBIG-UHFFFAOYSA-N/CHMO0000480
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:47:24.189244
MetadataModified	2024-09-07T21:22:19.411127
MetadataPublished	2022-01-21

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162396639	PubChem
The data in this table is sourced from UniChem at EBI.