Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C23H21IO5/c1-28-22(29-2)11-12-23(21(27)16-9-5-6-10-18(16)24)17(13-22)19(25)14-7-3-4-8-15(14)20(23)26/h3-10,17H,11-13H2,1-2H3
SMILES	COC1(OC)CCC2(C(C1)C(=O)c1c(C2=O)cccc1)C(=O)c1ccccc1I
InChI Key	UXHJHTBPRQFFKM-UHFFFAOYSA-N
Molecular Formula	C23H21IO5
Exact Mass	504.314 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UXHJHTBPRQFFKM-UHFFFAOYSA-N/CHMO0000480
License URL
Source	https://www.chemotion-repository.net/inchikey/UXHJHTBPRQFFKM-UHFFFAOYSA-N/CHMO0000480
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:08:26.063590
MetadataModified	2024-09-07T17:56:08.443702
MetadataPublished	2020-05-07

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146035819	PubChem
The data in this table is sourced from UniChem at EBI.