Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H12O4/c1-7-4-9-10(15-3)5-8(14-2)6-11(9)16-12(7)13/h4-6H,1-3H3
SMILES	COc1cc(OC)cc2c1cc(C)c(=O)o2
InChI Key	NFPBQSQJIOWFBM-UHFFFAOYSA-N
Molecular Formula	C12H12O4
Exact Mass	220.221 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NFPBQSQJIOWFBM-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NFPBQSQJIOWFBM-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:27:36.815583
MetadataModified	2024-09-07T15:38:30.017786
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
13166823	PubChem
The data in this table is sourced from UniChem at EBI.