Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C25H25BrO5Si/c1-30-15-12-13-20(26)18(14-15)24(29)25-19(10-7-11-21(25)31-32(2,3)4)22(27)16-8-5-6-9-17(16)23(25)28/h5-9,11-14,19,21H,10H2,1-4H3/t19-,21-,25-/m0/s1
SMILES	COc1ccc(c(c1)C(=O)[C@]12[C@H](C=CC[C@H]1C(=O)c1c(C2=O)cccc1)O[Si](C)(C)C)Br
InChI Key	SQYADLIMGXTCAJ-OWHZGTRUSA-N
Molecular Formula	C25H25BrO5Si
Exact Mass	513.452 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SQYADLIMGXTCAJ-OWHZGTRUSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/SQYADLIMGXTCAJ-OWHZGTRUSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:07:57.372888
MetadataModified	2024-09-07T17:55:14.585026
MetadataPublished	2020-05-07

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

Data-Source Molecule ID	Data-Source
146035855	PubChem
The data in this table is sourced from UniChem at EBI.