Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C7H9NO2/c9-4-6-1-2-7(5-10)8-3-6/h1-3,9-10H,4-5H2
SMILES	OCc1ccc(cn1)CO
InChI Key	RSJLUZSZKJXUFJ-UHFFFAOYSA-N
Molecular Formula	C7H9NO2
Exact Mass	139.152 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RSJLUZSZKJXUFJ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/RSJLUZSZKJXUFJ-UHFFFAOYSA-N/IR
Version
Author	Joshua Kramer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:44:28.970374
MetadataModified	2024-09-07T13:03:01.011653
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
13730410	eMolecules
SCHEMBL4140258	SureChEMBL
ZINC000000336530	ZINC
820251	PubChem
The data in this table is sourced from UniChem at EBI.