Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H14O6/c1-3-5-19-11-7-10(14(17)18)12(20-6-4-2)8-9(11)13(15)16/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H,17,18)
SMILES	C=CCOc1cc(C(=O)O)c(cc1C(=O)O)OCC=C
InChI Key	XQJAVEMHUDLYIT-UHFFFAOYSA-N
Molecular Formula	C14H14O6
Exact Mass	278.257 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XQJAVEMHUDLYIT-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/XQJAVEMHUDLYIT-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:01.397384
MetadataModified	2024-09-07T15:21:15.027120
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.814.794E	Nikkaji
15358987	PubChem
SCHEMBL8168167	SureChEMBL
The data in this table is sourced from UniChem at EBI.