Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C19H18O3/c1-3-13-21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14-4-2/h3-12H,1-2,13-14H2
SMILES	C=CCOc1ccc(cc1)C(=O)c1ccc(cc1)OCC=C
InChI Key	VWIAUZQWMLBMKP-UHFFFAOYSA-N
Molecular Formula	C19H18O3
Exact Mass	294.344 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VWIAUZQWMLBMKP-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VWIAUZQWMLBMKP-UHFFFAOYSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:55:58.355867
MetadataModified	2024-09-07T13:20:06.094096
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL826744	SureChEMBL
J2.903.517B	Nikkaji
18413467	PubChem
ZINC000114663731	ZINC
103022409	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.