Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H9NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-6H,1H3,(H,10,12)
SMILES	O=Cc1ccccc1NC(=O)C
InChI Key	OWMJAQBUFVTERI-UHFFFAOYSA-N
Molecular Formula	C9H9NO2
Exact Mass	163.173 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/OWMJAQBUFVTERI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OWMJAQBUFVTERI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:47:19.631146
MetadataModified	2024-09-08T00:47:19.631153
MetadataPublished	2023-03-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables