Dataset

heteronuclear multiple bond coherence (HMBC)

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

• heteronuclear multiple bond coherence (HMBC)HTML
  Explore

  • More information
  • Go to resource

• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOEJOXKVDYCQAH-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/UOEJOXKVDYCQAH-UHFFFAOYSA-N/CHMO0000601
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:51:23.662905
MetadataModified	2024-09-07T22:24:03.551427
MetadataPublished	2022-06-23

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables

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