Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C44H64N2O2/c1-31(2)39(47-45-41(5,6)27-13-28-42(45,7)8)37-23-19-35(20-24-37)33-15-17-34(18-16-33)36-21-25-38(26-22-36)40(32(3)4)48-46-43(9,10)29-14-30-44(46,11)12/h15-26,31-32,39-40H,13-14,27-30H2,1-12H3
SMILES	CC(C(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)ON1C(C)(C)CCCC1(C)C)C
InChI Key	KWOSIOZQENZDDO-UHFFFAOYSA-N
Molecular Formula	C44H64N2O2
Exact Mass	652.991 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KWOSIOZQENZDDO-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/KWOSIOZQENZDDO-UHFFFAOYSA-N/CHMO0000593
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:41:06.838479
MetadataModified	2024-09-07T18:39:54.743567
MetadataPublished	2020-08-26
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
154573680	PubChem
The data in this table is sourced from UniChem at EBI.