Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H14O4/c13-8-9-4-5-10(14)11(7-9)16-12-3-1-2-6-15-12/h4-5,7-8,12,14H,1-3,6H2
SMILES	O=Cc1ccc(c(c1)OC1CCCCO1)O
InChI Key	LOQKDMQVMLCSOS-UHFFFAOYSA-N
Molecular Formula	C12H14O4
Exact Mass	222.237 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/LOQKDMQVMLCSOS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LOQKDMQVMLCSOS-UHFFFAOYSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:25:35.293963
MetadataModified	2024-09-07T12:34:41.002836
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427416	PubChem
The data in this table is sourced from UniChem at EBI.