Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H14O4/c1-4-8-5-10-11(16-3)6-9(15-2)7-12(10)17-13(8)14/h5-7H,4H2,1-3H3
SMILES	COc1cc(OC)c2c(c1)oc(=O)c(c2)CC
InChI Key	LWYYQYHFBVLACQ-UHFFFAOYSA-N
Molecular Formula	C13H14O4
Exact Mass	234.248 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LWYYQYHFBVLACQ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LWYYQYHFBVLACQ-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:25:10.745845
MetadataModified	2024-09-07T15:34:52.653115
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453659	PubChem
The data in this table is sourced from UniChem at EBI.