Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C57H81N3O3/c1-40(61-58-52(4,5)31-16-32-53(58,6)7)43-19-25-46(26-20-43)49-37-50(47-27-21-44(22-28-47)41(2)62-59-54(8,9)33-17-34-55(59,10)11)39-51(38-49)48-29-23-45(24-30-48)42(3)63-60-56(12,13)35-18-36-57(60,14)15/h19-30,37-42H,16-18,31-36H2,1-15H3
SMILES	CC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)ON1C(C)(C)CCCC1(C)C
InChI Key	NTWYDSOHASEYID-UHFFFAOYSA-N
Molecular Formula	C57H81N3O3
Exact Mass	856.271 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NTWYDSOHASEYID-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/NTWYDSOHASEYID-UHFFFAOYSA-N/CHMO0000593
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:36:02.565239
MetadataModified	2024-09-07T18:33:24.501495
MetadataPublished	2020-08-26
Related Molecule

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

Data-Source Molecule ID	Data-Source
J1.576.168G	Nikkaji
101119431	PubChem
The data in this table is sourced from UniChem at EBI.