Dataset

1a[1a_CNMR.dx]

Chemical Information

InChI	InChI=1S/C14H12N2O6/c17-3-1-15-11(19)7-5-9-10(6-8(7)12(15)20)14(22)16(2-4-18)13(9)21/h5-6,17-18H,1-4H2
SMILES	O=C1C2=CC3=C(C=C2C(=O)N1CCO)C(=O)N(CCO)C3=O
InChI Key	BENVLYYDVVWQBL-UHFFFAOYSA-N

Data and Resources

• 1a[1a_CNMR.dx]HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p134.s1369.d6033
License URL	https://cdla.dev/permissive-1-0/
Source	https://nmrxiv.org/D6033
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 : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBI 1H/19F/D-BB Z-GRD Z820201/0119 Temperature : 300.46 K magnetic field strength : 9.39626001094152 Tesla number of scans : 2048 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
622734	surechembl
623479	pubchem
Molport-001-845-377	molport
The data in this table is sourced from UniChem at EBI.