Dataset

elemental analysis (EA)

Chemical Info

InChI	InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3
SMILES	COC(=O)c1ccc(c(c1)[N+](=O)[O-])CCc1ccc(cc1[N+](=O)[O-])C(=O)OC
InChI Key	IYDNQACOZQKGOC-UHFFFAOYSA-N
Molecular Formula	C18H16N2O8
Exact Mass	388.328 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IYDNQACOZQKGOC-UHFFFAOYSA-N/CHMO0001075
License URL
Source	https://www.chemotion-repository.net/inchikey/IYDNQACOZQKGOC-UHFFFAOYSA-N/CHMO0001075
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:21:29.534150
MetadataModified	2024-09-07T18:13:32.091651
MetadataPublished	2020-06-15

Field	Value
Measurement Technique	elemental analysis
Measurement Variables

Data-Source Molecule ID	Data-Source
146170774	PubChem
The data in this table is sourced from UniChem at EBI.