Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C39H33N9O6/c1-4-52-37(49)31-34(46-22-28(40-43-46)25-16-10-7-11-17-25)32(38(50)53-5-2)36(48-24-30(42-45-48)27-20-14-9-15-21-27)33(39(51)54-6-3)35(31)47-23-29(41-44-47)26-18-12-8-13-19-26/h7-24H,4-6H2,1-3H3
SMILES	CCOC(=O)c1c(n2nnc(c2)c2ccccc2)c(C(=O)OCC)c(c(c1n1nnc(c1)c1ccccc1)C(=O)OCC)n1nnc(c1)c1ccccc1
InChI Key	UOEJOXKVDYCQAH-UHFFFAOYSA-N
Molecular Formula	C39H33N9O6
Exact Mass	723.736 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOEJOXKVDYCQAH-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/UOEJOXKVDYCQAH-UHFFFAOYSA-N/CHMO0000604
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:51:20.394411
MetadataModified	2024-09-07T22:24:00.849547
MetadataPublished	2022-06-23

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
163407586	PubChem
The data in this table is sourced from UniChem at EBI.