Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C22H17IO3/c1-13-10-11-22(21(26)16-8-4-5-9-18(16)23)17(12-13)19(24)14-6-2-3-7-15(14)20(22)25/h2-10,17H,11-12H2,1H3/t17-,22+/m0/s1
SMILES	CC1=CC[C@]2([C@@H](C1)C(=O)c1c(C2=O)cccc1)C(=O)c1ccccc1I
InChI Key	HTUXSVMUHUMUTO-HTAPYJJXSA-N
Molecular Formula	C22H17IO3
Exact Mass	456.273 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HTUXSVMUHUMUTO-HTAPYJJXSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/HTUXSVMUHUMUTO-HTAPYJJXSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:11:53.797265
MetadataModified	2024-09-07T18:00:40.853416
MetadataPublished	2020-05-07

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

Data-Source Molecule ID	Data-Source
146035829	PubChem
The data in this table is sourced from UniChem at EBI.