Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H22O8S/c1-5-23-14-13(21-9(4)18)12(20-8(3)17)11(19-7(2)16)10(6-15)22-14/h10-15H,5-6H2,1-4H3/t10?,11-,12+,13?,14+/m1/s1
SMILES	CCS[C@@H]1OC(CO)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key	CVQAJMLGDXBVAC-ISDWTXNASA-N
Molecular Formula	C14H22O8S
Exact Mass	350.385 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CVQAJMLGDXBVAC-ISDWTXNASA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CVQAJMLGDXBVAC-ISDWTXNASA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:48.188302
MetadataModified	2024-09-07T15:28:15.798174
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453594	PubChem
The data in this table is sourced from UniChem at EBI.