Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C49H44N6O/c1-3-4-5-6-7-18-31-56-49-46(52-42-25-16-17-26-43(42)55-49)30-29-45-44(28-27-39-34(2)50-40-23-14-15-24-41(40)51-39)53-47-32-37(35-19-10-8-11-20-35)38(33-48(47)54-45)36-21-12-9-13-22-36/h8-17,19-30,32-33H,3-7,18,31H2,1-2H3/b28-27+,30-29+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2ccccc2nc1C)c1ccccc1
InChI Key	LKSMCVFTDQIOMY-XOXGWFOHSA-N
Molecular Formula	C49H44N6O
Exact Mass	732.913 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/LKSMCVFTDQIOMY-XOXGWFOHSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LKSMCVFTDQIOMY-XOXGWFOHSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:29:41.873679
MetadataModified	2024-09-07T22:06:42.325672
MetadataPublished	2022-04-17

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