Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H9NO2/c1-2-7-15-12(14)10-3-4-11-9(8-10)5-6-13-11/h1,3-6,8,13H,7H2
SMILES	C#CCOC(=O)c1ccc2c(c1)cc[nH]2
InChI Key	RHXBIEGIAXHFGN-UHFFFAOYSA-N
Molecular Formula	C12H9NO2
Exact Mass	199.205 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RHXBIEGIAXHFGN-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/RHXBIEGIAXHFGN-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:22:18.057163
MetadataModified	2024-09-07T15:30:27.626163
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
91683888	PubChem
ZINC000216862850	ZINC
The data in this table is sourced from UniChem at EBI.