Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H18O3/c1-13(2,3)9-6-11(15-4)10(8-14)12(7-9)16-5/h6-8H,1-5H3
SMILES	COc1cc(cc(c1C=O)OC)C(C)(C)C
InChI Key	NOIVNPMXITXRQC-UHFFFAOYSA-N
Molecular Formula	C13H18O3
Exact Mass	222.280 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NOIVNPMXITXRQC-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NOIVNPMXITXRQC-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:32:52.579832
MetadataModified	2024-09-07T15:46:17.210628
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453760	PubChem
The data in this table is sourced from UniChem at EBI.