Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H20O4/c1-4-23-16-11-18(22-3)17-10-15(20(21)24-19(17)12-16)9-14-8-6-5-7-13(14)2/h5-8,10-12H,4,9H2,1-3H3
SMILES CCOc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccc1C
InChI Key PJCVVDBDQLYMCR-UHFFFAOYSA-N
Molecular Formula C20H20O4
Exact Mass 324.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PJCVVDBDQLYMCR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PJCVVDBDQLYMCR-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:09:46.224954
MetadataModified 2024-09-07T15:11:56.193139
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453431 PubChem
The data in this table is sourced from UniChem at EBI.