Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C12H9N9O6/c1-25-10(22)4-7(16-19-13)5(11(23)26-2)9(18-21-15)6(12(24)27-3)8(4)17-20-14/h1-3H3
SMILES	[N-]=[N+]=Nc1c(C(=O)OC)c(N=[N+]=[N-])c(c(c1C(=O)OC)N=[N+]=[N-])C(=O)OC
InChI Key	DHWXSONNLZCPDN-UHFFFAOYSA-N
Molecular Formula	C12H9N9O6
Exact Mass	375.257 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DHWXSONNLZCPDN-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/DHWXSONNLZCPDN-UHFFFAOYSA-N/CHMO0000498
Version
Author	Danny Wagner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:48:56.761086
MetadataModified	2024-09-07T22:22:08.169320
MetadataPublished	2022-06-23

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163407579	PubChem
The data in this table is sourced from UniChem at EBI.