Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C19H20O3S2/c1-21-16-10-8-15(9-11-16)18(20)22-17(14-6-3-2-4-7-14)19-23-12-5-13-24-19/h2-4,6-11,17,19H,5,12-13H2,1H3
SMILES	COc1ccc(cc1)C(=O)OC(c1ccccc1)C1SCCCS1
InChI Key	ARXUTDUPDPTHBH-UHFFFAOYSA-N
Molecular Formula	C19H20O3S2
Exact Mass	360.490 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ARXUTDUPDPTHBH-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ARXUTDUPDPTHBH-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:18:56.252340
MetadataModified	2024-09-07T15:25:32.567105
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453552	PubChem
The data in this table is sourced from UniChem at EBI.