Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C21H19BrO5/c1-24-17-10-15(21(27-4)13-8-6-5-7-12(13)17)20(23)14-9-18(25-2)19(26-3)11-16(14)22/h5-11H,1-4H3
SMILES	COc1cc(c(cc1OC)Br)C(=O)c1cc(OC)c2c(c1OC)cccc2
InChI Key	ANVMBMPZHQGFLK-UHFFFAOYSA-N
Molecular Formula	C21H19BrO5
Exact Mass	431.277 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ANVMBMPZHQGFLK-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/ANVMBMPZHQGFLK-UHFFFAOYSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:14:08.464725
MetadataModified	2024-09-07T18:03:43.879187
MetadataPublished	2020-05-07

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

Data-Source Molecule ID	Data-Source
UYUDIE	CCDC
146035840	PubChem
The data in this table is sourced from UniChem at EBI.