Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H16O3/c1-10(7-8-13)9-15-12-5-3-11(14-2)4-6-12/h3-7,13H,8-9H2,1-2H3/b10-7+
SMILES	OC/C=C(/COc1ccc(cc1)OC)\C
InChI Key	WDPQOLUGSKPUBF-JXMROGBWSA-N
Molecular Formula	C12H16O3
Exact Mass	208.254 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WDPQOLUGSKPUBF-JXMROGBWSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WDPQOLUGSKPUBF-JXMROGBWSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:23:03.781155
MetadataModified	2024-09-07T15:31:35.114561
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453625	PubChem
The data in this table is sourced from UniChem at EBI.