Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C17H16O4/c1-21-11-7-6-10(18)14-15(11)17(20)13-9-4-2-8(3-5-9)12(13)16(14)19/h2,4,6-9,12-13,18H,3,5H2,1H3
SMILES	COc1ccc(c2c1C(=O)C1C3CCC(C1C2=O)C=C3)O
InChI Key	JPXGAROTSXUCFU-UHFFFAOYSA-N
Molecular Formula	C17H16O4
Exact Mass	284.307 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JPXGAROTSXUCFU-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/JPXGAROTSXUCFU-UHFFFAOYSA-N/IR.1
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:21:37.540051
MetadataModified	2024-09-07T13:48:12.351106
MetadataPublished	2014-08-21

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
77050804	PubChem
The data in this table is sourced from UniChem at EBI.