Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C26H32N2O3/c1-26(2,3)31-24(29)23-5-4-16-28(23)25(30)27-22-17-20-11-10-18-6-8-19(9-7-18)12-14-21(22)15-13-20/h6-9,13,15,17,23H,4-5,10-12,14,16H2,1-3H3,(H,27,30)/t23-/m1/s1
SMILES	O=C([C@H]1CCCN1C(=O)Nc1cc2ccc1CCc1ccc(CC2)cc1)OC(C)(C)C
InChI Key	RIJPILMKAGSMQK-HSZRJFAPSA-N
Molecular Formula	C26H32N2O3
Exact Mass	420.544 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RIJPILMKAGSMQK-HSZRJFAPSA-N/CHMO0000563.1
License URL
Source	https://www.chemotion-repository.net/inchikey/RIJPILMKAGSMQK-HSZRJFAPSA-N/CHMO0000563.1
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:40:03.510789
MetadataModified	2024-09-07T21:12:45.027798
MetadataPublished	2022-01-10

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

Data-Source Molecule ID	Data-Source
162394346	PubChem
The data in this table is sourced from UniChem at EBI.