Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C11H9NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h1,3-6,8,12H,7H2
SMILES	C#CCOc1ccc2c(c1)cc[nH]2
InChI Key	UOMBOZOHHCAYNA-UHFFFAOYSA-N
Molecular Formula	C11H9NO
Exact Mass	171.195 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOMBOZOHHCAYNA-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/UOMBOZOHHCAYNA-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:22:20.427940
MetadataModified	2024-09-07T15:30:31.024531
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL6350835	SureChEMBL
123058611	PubChem: Thomson Pharma
15765704	PubChem
J1.312.491D	Nikkaji
The data in this table is sourced from UniChem at EBI.