Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C16H14I2/c17-15-10-14-8-6-12-2-1-11(3-4-12)5-7-13(15)9-16(14)18/h1-4,9-10H,5-8H2
SMILES	Ic1cc2CCc3ccc(CCc1cc2I)cc3
InChI Key	ZNKKJEBSWNCGDA-UHFFFAOYSA-N
Molecular Formula	C16H14I2
Exact Mass	460.091 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZNKKJEBSWNCGDA-UHFFFAOYSA-N/CHMO0000480
License URL
Source	https://www.chemotion-repository.net/inchikey/ZNKKJEBSWNCGDA-UHFFFAOYSA-N/CHMO0000480
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:33:58.893961
MetadataModified	2024-09-07T19:48:10.094159
MetadataPublished	2021-05-24

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
155919819	PubChem
TENXES	CCDC
The data in this table is sourced from UniChem at EBI.