Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H16O4/c1-4-9-6-11-12(16-3)7-10(17-5-2)8-13(11)18-14(9)15/h6-8H,4-5H2,1-3H3
SMILES	CCOc1cc(OC)c2c(c1)oc(=O)c(c2)CC
InChI Key	ZEPRFTSMCIGBNA-UHFFFAOYSA-N
Molecular Formula	C14H16O4
Exact Mass	248.274 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZEPRFTSMCIGBNA-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ZEPRFTSMCIGBNA-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:32:37.684665
MetadataModified	2024-09-07T15:45:56.164107
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453758	PubChem
The data in this table is sourced from UniChem at EBI.