Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C4H6O4.K/c1-8-4(7)2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
SMILES	COC(=O)CC(=O)O[K]
InChI Key	WWTULTKUWBKVGV-UHFFFAOYSA-M
Molecular Formula	C4H5KO4
Exact Mass	156.178 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WWTULTKUWBKVGV-UHFFFAOYSA-M/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WWTULTKUWBKVGV-UHFFFAOYSA-M/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:11:27.246840
MetadataModified	2024-09-07T15:14:24.205265
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
2724687	PubChem
SCHEMBL344530	SureChEMBL
525472	eMolecules
15188780	PubChem: Thomson Pharma
38330-80-2	ACToR
J294.646G	Nikkaji
DTXSID90191698	EPA CompTox Dashboard
CB6123891	ChemicalBook
The data in this table is sourced from UniChem at EBI.