Dataset

Q3I[13]

Chemical Information

InChI	InChI=1S/C20H12I2N2/c21-15-7-3-5-13(11-15)19-20(14-6-4-8-16(22)12-14)24-18-10-2-1-9-17(18)23-19/h1-12H
SMILES	IC1=CC(C2=NC3=CC=CC=C3N=C2C2=CC(I)=CC=C2)=CC=C1
InChI Key	FDPWQILQAGBNSB-UHFFFAOYSA-N

Data and Resources

• Q3I[13]HTML
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• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p95.s845.d4143
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4143
Version
Author
Maintainer
Language	english
MetadataPublished	2025-03-11T13:06:05.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 294.8239 K magnetic field strength : 9.398161044985478 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 30.0366276301356 number of data points : 11 points relaxation time measurement : 0.1 seconds

Data-Source Molecule ID	Data-Source
2847305	PubChem
MCULE-6933868604	Mcule
UCUFIL	CCDC
ZINC000008386783	ZINC
644540	eMolecules
The data in this table is sourced from UniChem at EBI.