Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H16O3/c1-8(2)13-10-5-6-12(15)17-14(10)9(3)7-11(13)16-4/h5-8H,1-4H3
SMILES	COc1cc(C)c2c(c1C(C)C)ccc(=O)o2
InChI Key	QJULOOLNZYTWQK-UHFFFAOYSA-N
Molecular Formula	C14H16O3
Exact Mass	232.275 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/QJULOOLNZYTWQK-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QJULOOLNZYTWQK-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:46.181753
MetadataModified	2024-09-07T15:22:21.695447
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables