Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C16H12N2O6/c1-6-4-8(15(21)23-2)18-12-10(6)11-7(13(19)14(12)20)5-9(17-11)16(22)24-3/h4-5,17H,1-3H3
SMILES	COC(=O)c1cc(C)c2-c3[nH]c(cc3C(=O)C(=O)c2n1)C(=O)OC
InChI Key	VVKJYIDCUMETHR-UHFFFAOYSA-N
Molecular Formula	C16H12N2O6
Exact Mass	328.276 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VVKJYIDCUMETHR-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/VVKJYIDCUMETHR-UHFFFAOYSA-N/CHMO0000498
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:51:41.367650
MetadataModified	2024-09-07T23:41:18.717183
MetadataPublished	2022-11-02

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416615	PubChem
The data in this table is sourced from UniChem at EBI.