Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C43H42N4O5/c1-5-6-7-8-9-12-25-52-41-38(46-36-13-10-11-14-37(36)47-41)24-23-35-28(2)44-39-26-33(29-15-19-31(20-16-29)42(48)50-3)34(27-40(39)45-35)30-17-21-32(22-18-30)43(49)51-4/h10-11,13-24,26-27H,5-9,12,25H2,1-4H3/b24-23+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccc(cc3)C(=O)OC)c(cc2nc1C)c1ccc(cc1)C(=O)OC
InChI Key	HWMPTXVSJYPNEX-WCWDXBQESA-N
Molecular Formula	C43H42N4O5
Exact Mass	694.817 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000595
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:31:23.324162
MetadataModified	2024-09-07T22:08:04.725473
MetadataPublished	2022-04-17

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