Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C15H20O5S/c1-2-21-15-12(17)11(16)13-10(19-15)8-18-14(20-13)9-6-4-3-5-7-9/h3-7,10-17H,2,8H2,1H3/t10-,11-,12-,13-,14?,15+/m1/s1
SMILES	CCS[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1O)O)c1ccccc1
InChI Key	QOMMDHDGIYADCQ-BWTKQZKTSA-N
Molecular Formula	C15H20O5S
Exact Mass	312.381 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QOMMDHDGIYADCQ-BWTKQZKTSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QOMMDHDGIYADCQ-BWTKQZKTSA-N/IR
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:51:08.994984
MetadataModified	2024-09-07T12:09:12.331488
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
10903049	PubChem
CB0958527	ChemicalBook
J789.515A	Nikkaji
15951625	PubChem: Thomson Pharma
SCHEMBL4171725	SureChEMBL
The data in this table is sourced from UniChem at EBI.