Dataset

Q3Me[70]

Chemical Information

InChI	InChI=1S/C22H18N2/c1-15-7-5-9-17(13-15)21-22(18-10-6-8-16(2)14-18)24-20-12-4-3-11-19(20)23-21/h3-14H,1-2H3
SMILES	CC1=CC(C2=NC3=CC=CC=C3N=C2C2=CC(C)=CC=C2)=CC=C1
InChI Key	UUQMGIHHRZVBEU-UHFFFAOYSA-N

Data and Resources

• Q3Me[70]HTML
  Go to source

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p95.s844.d4142
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4142
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 : 298.1618 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 : 13 points relaxation time measurement : 0.1 seconds

Data-Source Molecule ID	Data-Source
16202757	surechembl
13138800	pubchem
UCUGAE	CCDC
The data in this table is sourced from UniChem at EBI.