Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2
SMILES	C#CC(=O)OCC(COC(=O)C#C)(COC(=O)C#C)COC(=O)C#C
InChI Key	XOTGTQGTNTVMPG-UHFFFAOYSA-N
Molecular Formula	C17H12O8
Exact Mass	344.272 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XOTGTQGTNTVMPG-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/XOTGTQGTNTVMPG-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:32:05.291249
MetadataModified	2024-09-07T15:45:08.678623
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
13177825	PubChem
J2.855.589J	Nikkaji
12032629	eMolecules
The data in this table is sourced from UniChem at EBI.