Dataset

2a[2a_CNMR.dx]

Chemical Information

InChI	InChI=1S/C35H30N2O8/c1-43-25-12-8-23(9-13-25)35(22-6-4-3-5-7-22,24-10-14-26(44-2)15-11-24)45-19-17-37-33(41)29-20-27-28(21-30(29)34(37)42)32(40)36(16-18-38)31(27)39/h3-15,20-21,38H,16-19H2,1-2H3
SMILES	COC1=CC=C(C(OCCN2C(=O)C3=C(C=C4C(=O)N(CCO)C(=O)C4=C3)C2=O)(C2=CC=CC=C2)C2=CC=C(OC)C=C2)C=C1
InChI Key	CXWRYQIVHBOEGQ-UHFFFAOYSA-N

Data and Resources

• 2a[2a_CNMR.dx]HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p134.s1377.d6049
License URL	https://cdla.dev/permissive-1-0/
Source	https://nmrxiv.org/D6049
Version
Author
Maintainer
Language	english
MetadataPublished	2025-12-23T05:47:00.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBI 1H/19F/D-BB Z-GRD Z820201/0119 Temperature : 297.96 K magnetic field strength : 9.39626001094152 Tesla number of scans : 20135 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 238.896695573369 number of data points : 65536 points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
19423868	surechembl
131975122	pubchem
The data in this table is sourced from UniChem at EBI.