Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C21H15IO3/c22-17-11-4-3-9-15(17)20(25)21-12-6-5-10-16(21)18(23)13-7-1-2-8-14(13)19(21)24/h1-9,11,16H,10,12H2/t16-,21+/m0/s1
SMILES	Ic1ccccc1C(=O)[C@]12CC=CC[C@H]1C(=O)c1c(C2=O)cccc1
InChI Key	TZBXDZKIGZSTDC-HRAATJIYSA-N
Molecular Formula	C21H15IO3
Exact Mass	442.246 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TZBXDZKIGZSTDC-HRAATJIYSA-N/CHMO0000480
License URL
Source	https://www.chemotion-repository.net/inchikey/TZBXDZKIGZSTDC-HRAATJIYSA-N/CHMO0000480
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:07:27.797639
MetadataModified	2024-09-07T17:54:35.348266
MetadataPublished	2020-05-07

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146035817	PubChem
UYUYOF	CCDC
The data in this table is sourced from UniChem at EBI.