Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H30O9S/c1-6-32-22-21(30-15(4)25)20(29-14(3)24)19(28-13(2)23)18(31-22)12-27-11-16-7-9-17(26-5)10-8-16/h7-10,18-22H,6,11-12H2,1-5H3/t18?,19-,20+,21?,22+/m1/s1
SMILES	CCS[C@@H]1OC(COCc2ccc(cc2)OC)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key	QVOSMUCBDNORGB-AUFAKCASSA-N
Molecular Formula	C22H30O9S
Exact Mass	470.533 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QVOSMUCBDNORGB-AUFAKCASSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QVOSMUCBDNORGB-AUFAKCASSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:04.095208
MetadataModified	2024-09-07T15:27:12.845583
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453579	PubChem
The data in this table is sourced from UniChem at EBI.