Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C11H10O2/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h1,3-6,11H,7-8H2
SMILES	C#Cc1ccc(cc1)C1OCCO1
InChI Key	IMBXCYXDOGCLNO-UHFFFAOYSA-N
Molecular Formula	C11H10O2
Exact Mass	174.196 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IMBXCYXDOGCLNO-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/IMBXCYXDOGCLNO-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:43.841602
MetadataModified	2024-09-07T15:22:18.163702
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
12143955	PubChem
SCHEMBL4012194	SureChEMBL
DTXSID60478504	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.