Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H16N2O4/c1-21-15(19)9-3-5-11(13(17)7-9)12-6-4-10(8-14(12)18)16(20)22-2/h3-8H,17-18H2,1-2H3
SMILES	COC(=O)c1ccc(c(c1)N)c1ccc(cc1N)C(=O)OC
InChI Key	CQJDGQODCKARGV-UHFFFAOYSA-N
Molecular Formula	C16H16N2O4
Exact Mass	300.309 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CQJDGQODCKARGV-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/CQJDGQODCKARGV-UHFFFAOYSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:59:02.215260
MetadataModified	2024-09-07T14:56:16.752125
MetadataPublished	2019-04-09

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
627176	PubChem
ZINC000005586665	ZINC
MCULE-4723874438	Mcule
The data in this table is sourced from UniChem at EBI.