Dataset

elemental analysis (EA)

Chemical Info

InChI	InChI=1S/C12H9NO2/c14-12-13-7-10-9-4-2-1-3-8(9)5-6-11(10)15-12/h1-6H,7H2,(H,13,14)
SMILES	O=C1NCc2c(O1)ccc1c2cccc1
InChI Key	ZHULLRQUWLYJHW-UHFFFAOYSA-N
Molecular Formula	C12H9NO2
Exact Mass	199.205 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZHULLRQUWLYJHW-UHFFFAOYSA-N/CHMO0001075
License URL
Source	https://www.chemotion-repository.net/inchikey/ZHULLRQUWLYJHW-UHFFFAOYSA-N/CHMO0001075
Version
Author	Andreas Link
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:58:15.417771
MetadataModified	2024-09-08T00:58:15.417777
MetadataPublished	2023-05-16

Field	Value
Measurement Technique	elemental analysis
Measurement Variables

Data-Source Molecule ID	Data-Source
11458287	PubChem
J2.073.842A	Nikkaji
20182731	NMRShiftDB
16557686	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.