Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C23H19IO3/c1-13-11-18-20(25)15-7-3-4-8-16(15)21(26)23(18,12-14(13)2)22(27)17-9-5-6-10-19(17)24/h3-10,18H,11-12H2,1-2H3/t18-,23+/m0/s1
SMILES	CC1=C(C)C[C@]2([C@@H](C1)C(=O)c1ccccc1C2=O)C(=O)c1ccccc1I
InChI Key	BJHRMKGCWPVAHU-FDDCHVKYSA-N
Molecular Formula	C23H19IO3
Exact Mass	470.300 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BJHRMKGCWPVAHU-FDDCHVKYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/BJHRMKGCWPVAHU-FDDCHVKYSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:13:23.562771
MetadataModified	2024-09-07T18:02:55.855237
MetadataPublished	2020-05-07

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

Data-Source Molecule ID	Data-Source
UYUDAW	CCDC
146035836	PubChem
The data in this table is sourced from UniChem at EBI.