Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H14INO/c1-2-3-8-11(14)13-10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3,(H,13,14)
SMILES	CCCCC(=O)Nc1ccccc1I
InChI Key	OQFQJYTYXVKRSH-UHFFFAOYSA-N
Molecular Formula	C11H14INO
Exact Mass	303.139 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OQFQJYTYXVKRSH-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OQFQJYTYXVKRSH-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:13:24.667297
MetadataModified	2024-09-07T22:50:41.307931
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60629618	PubChem
MCULE-3145470440	Mcule
The data in this table is sourced from UniChem at EBI.