Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H16IN/c17-15-9-14-8-6-12-3-1-11(2-4-12)5-7-13(15)10-16(14)18/h1-4,9-10H,5-8,18H2
SMILES	Nc1cc2CCc3ccc(CCc1cc2I)cc3
InChI Key	PVILTAUSENDDNO-UHFFFAOYSA-N
Molecular Formula	C16H16IN
Exact Mass	349.209 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PVILTAUSENDDNO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PVILTAUSENDDNO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:50:41.327239
MetadataModified	2024-09-08T00:50:41.327244
MetadataPublished	2023-04-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
157010410	PubChem
The data in this table is sourced from UniChem at EBI.