Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C18H18O4/c1-21-11-7-8-12(22-2)16-15(11)17(19)13-9-3-5-10(6-4-9)14(13)18(16)20/h3,5,7-10,13-14H,4,6H2,1-2H3
SMILES	COc1ccc(c2c1C(=O)C1C3CCC(C1C2=O)C=C3)OC
InChI Key	JGJSEAVAUZJOSF-UHFFFAOYSA-N
Molecular Formula	C18H18O4
Exact Mass	298.333 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JGJSEAVAUZJOSF-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/JGJSEAVAUZJOSF-UHFFFAOYSA-N/IR.1
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:21:49.275483
MetadataModified	2024-09-07T13:47:51.596075
MetadataPublished	2014-08-21

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
77050803	PubChem
The data in this table is sourced from UniChem at EBI.