Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H16O4/c1-4-5-16-9-6-11(14-2)10(8-13)12(7-9)15-3/h6-8H,4-5H2,1-3H3
SMILES	CCCOc1cc(OC)c(c(c1)OC)C=O
InChI Key	YBLFMGLCEGWHHM-UHFFFAOYSA-N
Molecular Formula	C12H16O4
Exact Mass	224.253 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YBLFMGLCEGWHHM-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/YBLFMGLCEGWHHM-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:25:04.398208
MetadataModified	2024-09-07T15:34:41.597494
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453658	PubChem
The data in this table is sourced from UniChem at EBI.