Dataset

D-mohammed-EA715-c13[11]

Chemical Information

InChI	InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
SMILES	CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
InChI Key	MQIUGAXCHLFZKX-UHFFFAOYSA-N

Data and Resources

• D-mohammed-EA715-c13[11]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p167.s1760.d7756
License URL
Source	https://nmrxiv.org/D7756
Version
Author
Maintainer
Language	english
MetadataPublished	2026-03-21T17:47:28.000000Z
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 PABBO BB/19F-1H/D Z-GRD Z108618/0665 Temperature : 298.1413 K magnetic field strength : 9.396259966674501 Tesla number of scans : 5000 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 238.896696692068 number of data points : 65536 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
CHEBI:34679	chebi
CHEMBL1409747	chembl
23053	surechembl
29366236	surechembl
8346	pubchem
8X3RJ0527W	fdasrs
PD220960	probes_and_drugs
155300	brenda
221934	brenda
74599	brenda
HMDB0251427	hmdb
Molport-003-931-318	molport
The data in this table is sourced from UniChem at EBI.