Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H20O4/c1-4-5-6-7-11-8-13-14(19-3)9-12(18-2)10-15(13)20-16(11)17/h8-10H,4-7H2,1-3H3
SMILES CCCCCc1cc2c(OC)cc(cc2oc1=O)OC
InChI Key PANQYWSBGXNQND-UHFFFAOYSA-N
Molecular Formula C16H20O4
Exact Mass 276.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PANQYWSBGXNQND-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PANQYWSBGXNQND-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:20:21.740462
MetadataModified 2024-09-07T15:27:37.502803
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables