Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C27H30N2O2/c1-19(26(30)24-6-4-3-5-7-24)29(2)27(31)28-25-18-22-13-12-20-8-10-21(11-9-20)14-16-23(25)17-15-22/h3-11,15,17-19,26,30H,12-14,16H2,1-2H3,(H,28,31)/t19-,26-/m0/s1
SMILES	O=C(N([C@H]([C@@H](c1ccccc1)O)C)C)Nc1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	YTZBFOBFIWZWGZ-SIBVEZHUSA-N
Molecular Formula	C27H30N2O2
Exact Mass	414.539 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YTZBFOBFIWZWGZ-SIBVEZHUSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/YTZBFOBFIWZWGZ-SIBVEZHUSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:40:29.921147
MetadataModified	2024-09-07T21:13:19.228376
MetadataPublished	2022-01-10

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

Data-Source Molecule ID	Data-Source
162394341	PubChem
The data in this table is sourced from UniChem at EBI.