Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H19ClO4/c1-3-8-24-16-11-18(23-2)17-10-14(20(22)25-19(17)12-16)9-13-4-6-15(21)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3
SMILES	CCCOc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)Cl
InChI Key	YJUTTWPYVSUNQJ-UHFFFAOYSA-N
Molecular Formula	C20H19ClO4
Exact Mass	358.815 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/YJUTTWPYVSUNQJ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/YJUTTWPYVSUNQJ-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:36.136085
MetadataModified	2024-09-07T15:27:58.318046
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables