Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C18H15FO4/c1-21-14-9-16(22-2)15-8-12(18(20)23-17(15)10-14)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3
SMILES	COc1cc(OC)cc2c1cc(Cc1ccc(cc1)F)c(=O)o2
InChI Key	MBTZMVKQSWOARS-UHFFFAOYSA-N
Molecular Formula	C18H15FO4
Exact Mass	314.308 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MBTZMVKQSWOARS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/MBTZMVKQSWOARS-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:38.599150
MetadataModified	2024-09-07T15:28:01.934320
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453590	PubChem
The data in this table is sourced from UniChem at EBI.