Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26-,28-/m0/s1
SMILES	Ic1ccccc1C(=O)[C@]12[C@@H](O[Si](C(C)(C)C)(C)C)C(=CC[C@H]1C(=O)c1c(C2=O)cccc1)C
InChI Key	POVDWLXJRBXEJQ-PTJQVGQKSA-N
Molecular Formula	C28H31IO4Si
Exact Mass	586.533 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/POVDWLXJRBXEJQ-PTJQVGQKSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/POVDWLXJRBXEJQ-PTJQVGQKSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:06:33.210018
MetadataModified	2024-09-07T17:53:23.093834
MetadataPublished	2020-05-07

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

Data-Source Molecule ID	Data-Source
UYUZIA	CCDC
146035857	PubChem
The data in this table is sourced from UniChem at EBI.