Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C25H19N7O4/c1-2-36-25(35)21-15-30(12-17-7-5-6-16(10-17)11-26)28-22(21)32-14-18(27-29-32)13-31-23(33)19-8-3-4-9-20(19)24(31)34/h3-10,14-15H,2,12-13H2,1H3
SMILES	CCOC(=O)c1cn(nc1n1nnc(c1)CN1C(=O)c2c(C1=O)cccc2)Cc1cccc(c1)C#N
InChI Key	RJXQILXRDFYRBG-UHFFFAOYSA-N
Molecular Formula	C25H19N7O4
Exact Mass	481.463 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RJXQILXRDFYRBG-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/RJXQILXRDFYRBG-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:37:40.676166
MetadataModified	2024-09-08T02:37:40.676172
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables

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