Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C70H46N4O4/c1-3-77-69(75)45-25-21-43(22-26-45)67-63-37-33-59(71-63)57(31-29-49-41-47-13-5-7-15-51(47)55-19-11-9-17-53(49)55)61-35-39-65(73-61)68(44-23-27-46(28-24-44)70(76)78-4-2)66-40-36-62(74-66)58(60-34-38-64(67)72-60)32-30-50-42-48-14-6-8-16-52(48)56-20-12-10-18-54(50)56/h5-28,33-42,71,74H,3-4H2,1-2H3/b59-57-,60-58-,61-57-,62-58-,67-63-,67-64-,68-65-,68-66-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/C#Cc1cc4ccccc4c4c1cccc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1cc2ccccc2c2c1cccc2
InChI Key	QJWLPWBBLOYIBK-LFLXBYLLSA-N
Molecular Formula	C70H46N4O4
Exact Mass	1007.139 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QJWLPWBBLOYIBK-LFLXBYLLSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QJWLPWBBLOYIBK-LFLXBYLLSA-N/CHMO0000595
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:48:23.060593
MetadataModified	2024-09-07T18:49:05.912475
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

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