Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H13NO3/c15-13(16)12-5-9-3-4-10(6-11(9)14-12)17-7-8-1-2-8/h3-6,8,14H,1-2,7H2,(H,15,16)
SMILES	OC(=O)c1cc2c([nH]1)cc(cc2)OCC1CC1
InChI Key	YFSWNWZGCZWOMI-UHFFFAOYSA-N
Molecular Formula	C13H13NO3
Exact Mass	231.247 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/YFSWNWZGCZWOMI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YFSWNWZGCZWOMI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:20:24.706500
MetadataModified	2024-09-08T01:20:24.706505
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139270854	PubChem
The data in this table is sourced from UniChem at EBI.