Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C15H22O5S/c1-2-21-15-13(18)14(12(17)11(8-16)20-15)19-9-10-6-4-3-5-7-10/h3-7,11-18H,2,8-9H2,1H3/t11-,12-,13-,14+,15+/m1/s1
SMILES	CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O
InChI Key	QZYDYKUQPIMRSF-ZSAUSMIDSA-N
Molecular Formula	C15H22O5S
Exact Mass	314.397 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/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/IR
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:32:29.062804
MetadataModified	2024-09-07T11:51:27.569793
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
15469585	PubChem: Thomson Pharma
10448363	PubChem
J2.695.374J	Nikkaji
The data in this table is sourced from UniChem at EBI.