Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C17H9IO3/c18-14-8-4-3-7-12(14)17(21)13-9-15(19)10-5-1-2-6-11(10)16(13)20/h1-9H
SMILES	Ic1ccccc1C(=O)C1=CC(=O)c2c(C1=O)cccc2
InChI Key	CIZDEMMLYCBCDQ-UHFFFAOYSA-N
Molecular Formula	C17H9IO3
Exact Mass	388.156 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CIZDEMMLYCBCDQ-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/CIZDEMMLYCBCDQ-UHFFFAOYSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:15:23.433345
MetadataModified	2024-09-07T18:05:15.135832
MetadataPublished	2020-05-07

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

Data-Source Molecule ID	Data-Source
J3.290.752K	Nikkaji
UYUYUL	CCDC
102125952	PubChem
The data in this table is sourced from UniChem at EBI.