Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C80H58N4O8/c1-5-89-79(85)53-27-23-51(24-28-53)71-59-35-39-63(81-59)77(91-69-45-33-49-17-9-13-21-57(49)75(69)73-55-19-11-7-15-47(55)31-43-67(73)87-3)65-41-37-61(83-65)72(52-25-29-54(30-26-52)80(86)90-6-2)62-38-42-66(84-62)78(64-40-36-60(71)82-64)92-70-46-34-50-18-10-14-22-58(50)76(70)74-56-20-12-8-16-48(56)32-44-68(74)88-4/h7-46,81,84H,5-6H2,1-4H3/b71-59-,71-60-,72-61-,72-62-,77-63+,77-65+,78-64+,78-66+
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)/Oc1ccc4c(c1c1c(OC)ccc5c1cccc5)cccc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/Oc1ccc2c(c1c1c(OC)ccc3c1cccc3)cccc2
InChI Key	PRPVEMONBUZVKG-LXUBDJQLSA-N
Molecular Formula	C80H58N4O8
Exact Mass	1203.339 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PRPVEMONBUZVKG-LXUBDJQLSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/PRPVEMONBUZVKG-LXUBDJQLSA-N/CHMO0001146
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:44:07.269899
MetadataModified	2024-09-07T22:18:20.022844
MetadataPublished	2022-05-16

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

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