Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C40H32N2P.BrH/c1-30-40(29-43(33-21-11-4-12-22-33,34-23-13-5-14-24-34)35-25-15-6-16-26-35)42-39-28-37(32-19-9-3-10-20-32)36(27-38(39)41-30)31-17-7-2-8-18-31;/h2-28H,29H2,1H3;1H/q+1;/p-1
SMILES	Cc1nc2cc(c3ccccc3)c(cc2nc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Br-]
InChI Key	RPLOTKMXWPILHZ-UHFFFAOYSA-M
Molecular Formula	C40H32BrN2P
Exact Mass	651.573 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RPLOTKMXWPILHZ-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RPLOTKMXWPILHZ-UHFFFAOYSA-M/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:38:58.347236
MetadataModified	2024-09-07T22:14:11.545132
MetadataPublished	2022-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163197218	PubChem
The data in this table is sourced from UniChem at EBI.