Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
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

Metadata Information

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
MetadataPublished 2023-04-07
Related Molecule
  • 15-iodotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
    • 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.