Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)
SMILES	O=C(N(c1ccccc1)c1ccccc1)Nc1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	KSCRQNQAPBADDS-UHFFFAOYSA-N
Molecular Formula	C29H26N2O
Exact Mass	418.530 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KSCRQNQAPBADDS-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/KSCRQNQAPBADDS-UHFFFAOYSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:41:15.951472
MetadataModified	2024-09-07T21:14:15.668196
MetadataPublished	2022-01-10

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

Data-Source Molecule ID	Data-Source
162394345	PubChem
The data in this table is sourced from UniChem at EBI.