Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C65H56N6O5/c1-5-6-7-8-9-18-37-76-63-58(68-54-23-16-17-24-55(54)71-63)36-35-57-56(69-61-39-49(43-19-12-10-13-20-43)50(40-62(61)70-57)44-21-14-11-15-22-44)34-33-53-42(2)66-59-38-51(45-25-29-47(30-26-45)64(72)74-3)52(41-60(59)67-53)46-27-31-48(32-28-46)65(73)75-4/h10-17,19-36,38-41H,5-9,18,37H2,1-4H3/b34-33+,36-35+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2cc(c3ccc(cc3)C(=O)OC)c(cc2nc1C)c1ccc(cc1)C(=O)OC)c1ccccc1
InChI Key	GTLCGGWORFMIIL-WXBFSDFVSA-N
Molecular Formula	C65H56N6O5
Exact Mass	1001.177 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:30:56.463757
MetadataModified	2024-09-07T22:07:41.837210
MetadataPublished	2022-04-17

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

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