Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C8H7IO3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3
SMILES	CO[I]1OC(=O)c2c1cccc2
InChI Key	LUERUKOXOOMVNM-UHFFFAOYSA-N
Molecular Formula	C8H7IO3
Exact Mass	278.044 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LUERUKOXOOMVNM-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/LUERUKOXOOMVNM-UHFFFAOYSA-N/CHMO0000630
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:37:24.289315
MetadataModified	2024-09-08T03:37:24.289320
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
MXBIOX	CCDC
J2.478.627G	Nikkaji
36096094	eMolecules
13741469	PubChem
SCHEMBL12211388	SureChEMBL
The data in this table is sourced from UniChem at EBI.