Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C10H12O4/c1-3-14-7-4-9(12)8(6-11)10(5-7)13-2/h4-6,12H,3H2,1-2H3
SMILES	CCOc1cc(OC)c(c(c1)O)C=O
InChI Key	WEQOBXHUKDTNQY-UHFFFAOYSA-N
Molecular Formula	C10H12O4
Exact Mass	196.200 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WEQOBXHUKDTNQY-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/WEQOBXHUKDTNQY-UHFFFAOYSA-N/IR.1
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:30:07.913732
MetadataModified	2024-09-07T15:42:13.359886
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
12700189	PubChem
The data in this table is sourced from UniChem at EBI.