Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C18H13ClN6O2/c1-12-9-18(23-11-16(20-22-23)13-5-3-2-4-6-13)21-24(12)17-8-7-14(25(26)27)10-15(17)19/h2-11H,1H3
SMILES	Clc1cc(ccc1n1nc(cc1C)n1nnc(c1)c1ccccc1)[N+](=O)[O-]
InChI Key	NASFABBFAHTRIZ-UHFFFAOYSA-N
Molecular Formula	C18H13ClN6O2
Exact Mass	380.788 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NASFABBFAHTRIZ-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/NASFABBFAHTRIZ-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:35:50.077683
MetadataModified	2024-09-08T02:35:50.077704
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.