Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C12H12N2O3/c1-7(16)9-3-8-4-12(17-2)11(13-6-15)5-10(8)14-9/h3-6,14H,1-2H3,(H,13,15)
SMILES	O=CNc1cc2[nH]c(cc2cc1OC)C(=O)C
InChI Key	CFUDBJNBUQJVCC-UHFFFAOYSA-N
Molecular Formula	C12H12N2O3
Exact Mass	232.235 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CFUDBJNBUQJVCC-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/CFUDBJNBUQJVCC-UHFFFAOYSA-N/CHMO0000498
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:50:46.160610
MetadataModified	2024-09-07T23:40:04.798540
MetadataPublished	2022-11-02

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416616	PubChem
The data in this table is sourced from UniChem at EBI.