Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C15H13ClN6O4/c1-9-5-15(20-7-11(17-19-20)8-26-10(2)23)18-21(9)14-4-3-12(22(24)25)6-13(14)16/h3-7H,8H2,1-2H3
SMILES	CC(=O)OCc1nnn(c1)c1nn(c(c1)C)c1ccc(cc1Cl)[N+](=O)[O-]
InChI Key	QIRBWRVTFHDFHS-UHFFFAOYSA-N
Molecular Formula	C15H13ClN6O4
Exact Mass	376.755 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QIRBWRVTFHDFHS-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/QIRBWRVTFHDFHS-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:29:35.203871
MetadataModified	2024-09-08T02:29:35.203877
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.