Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C36H47N3O6/c1-28(40)39(24-14-12-22-38-35(42)45-36(2,3)4)23-13-11-21-37-34(41)31-19-20-32(43-26-29-15-7-5-8-16-29)33(25-31)44-27-30-17-9-6-10-18-30/h5-10,15-20,25H,11-14,21-24,26-27H2,1-4H3,(H,37,41)(H,38,42)
SMILES	O=C(OC(C)(C)C)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
InChI Key	IZTLYVNJOKMKJX-UHFFFAOYSA-N
Molecular Formula	C36H47N3O6
Exact Mass	617.775 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/IZTLYVNJOKMKJX-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/IZTLYVNJOKMKJX-UHFFFAOYSA-N/CHMO0000593
Version
Author	Michael Mertens
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:54:15.341116
MetadataModified	2025-01-29T16:46:07.869878
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 : 20240429 Starting time : 14.41 h instrument : spect label : MWM-70 id : 128183 Solvent used for referencing : chloroform-D1 (CDCl3)

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