Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38/h1-14,17-18,21-28H,15-16,19-20H2
SMILES	O=P(c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)c1ccccn1)(c1ccccc1)c1ccccc1
InChI Key	DBGFKOUBAPGGJQ-UHFFFAOYSA-N
Molecular Formula	C39H32NOP
Exact Mass	561.651 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DBGFKOUBAPGGJQ-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/DBGFKOUBAPGGJQ-UHFFFAOYSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:13:34.355679
MetadataModified	2024-09-08T00:10:06.856348
MetadataPublished	2023-01-04

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146036891	PubChem
JALMAO	CCDC
The data in this table is sourced from UniChem at EBI.