Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H17IO/c1-19-17-11-14-8-6-12-2-4-13(5-3-12)7-9-15(17)10-16(14)18/h2-5,10-11H,6-9H2,1H3
SMILES	COc1cc2CCc3ccc(CCc1cc2I)cc3
InChI Key	FPFIZPBXXRHOCB-UHFFFAOYSA-N
Molecular Formula	C17H17IO
Exact Mass	364.221 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/FPFIZPBXXRHOCB-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/FPFIZPBXXRHOCB-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Carolin Braun
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:38:44.426838
MetadataModified	2024-09-07T12:54:24.106071
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
58382803	PubChem
The data in this table is sourced from UniChem at EBI.