Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C58H78N6O11/c1-44(65)63(38-18-14-34-61-54(69)48-24-28-50(29-25-48)73-42-46-20-8-6-9-21-46)36-16-12-32-59-52(67)40-58(72,56(71)75-57(3,4)5)41-53(68)60-33-13-17-37-64(45(2)66)39-19-15-35-62-55(70)49-26-30-51(31-27-49)74-43-47-22-10-7-11-23-47/h6-11,20-31,72H,12-19,32-43H2,1-5H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70)
SMILES	O=C(C(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)OCc1ccccc1)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)OCc1ccccc1)O)OC(C)(C)C
InChI Key	NCJKXVAMVRAYAK-UHFFFAOYSA-N
Molecular Formula	C58H78N6O11
Exact Mass	1035.274 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NCJKXVAMVRAYAK-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/NCJKXVAMVRAYAK-UHFFFAOYSA-N/CHMO0000593
Version
Author	Michael Mertens
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:54:37.656519
MetadataModified	2025-01-29T16:46:29.711682
MetadataPublished	2024-12-03
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 297.9 K PULPROG : zg30 number of scans : 16 scans Title : Mertens Date : 20240911 Starting time : 16.31 h instrument : spect label : MWM-76 id : 128193 Solvent used for referencing : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.