Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C16H19NO3S/c1-4-17(5-2)12-6-7-13-14(19-10-11(3)18)9-16(21)20-15(13)8-12/h6-9H,4-5,10H2,1-3H3
SMILES	CCN(c1ccc2c(c1)oc(=S)cc2OCC(=O)C)CC
InChI Key	FMWXHBBKSXMUAU-UHFFFAOYSA-N
Molecular Formula	C16H19NO3S
Exact Mass	305.392 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FMWXHBBKSXMUAU-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/FMWXHBBKSXMUAU-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:11:34.703789
MetadataModified	2024-09-07T15:14:36.277157
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453446	PubChem
The data in this table is sourced from UniChem at EBI.