Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H12O4/c1-3-15-8-6-10(14-2)9-4-5-12(13)16-11(9)7-8/h4-7H,3H2,1-2H3
SMILES	CCOc1cc(OC)c2c(c1)oc(=O)cc2
InChI Key	ARGOBXHINXWKSU-UHFFFAOYSA-N
Molecular Formula	C12H12O4
Exact Mass	220.221 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ARGOBXHINXWKSU-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ARGOBXHINXWKSU-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:32:30.291815
MetadataModified	2024-09-07T15:45:45.623987
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL15842471	SureChEMBL
90255475	PubChem
The data in this table is sourced from UniChem at EBI.