Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H15NO4/c1-4-5-17-12(14)13-9-6-10(15-2)8-11(7-9)16-3/h4,6-8H,1,5H2,2-3H3,(H,13,14)
SMILES	COc1cc(NC(=O)OCC=C)cc(c1)OC
InChI Key	WSLOJDPASDBXGF-UHFFFAOYSA-N
Molecular Formula	C12H15NO4
Exact Mass	237.252 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WSLOJDPASDBXGF-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WSLOJDPASDBXGF-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:23:48.538051
MetadataModified	2024-09-07T15:32:40.008278
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
125464318	PubChem
ZINC000584591547	ZINC
The data in this table is sourced from UniChem at EBI.