Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H18O4/c1-13(21)23-11-19-15-7-3-5-9-17(15)20(12-24-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3
SMILES CC(=O)OCc1c2ccccc2c(c2c1cccc2)COC(=O)C
InChI Key BVPQUFPFMVPKTA-UHFFFAOYSA-N
Molecular Formula C20H18O4
Exact Mass 322.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVPQUFPFMVPKTA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BVPQUFPFMVPKTA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:16:08.196474
MetadataModified 2024-09-07T15:21:25.105228
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
10947361 eMolecules
SCHEMBL4647196 SureChEMBL
10273-84-4 ACToR
DTXSID50346546 EPA CompTox Dashboard
MCULE-6648864211 Mcule
ZINC000000393157 ZINC
613145 PubChem
The data in this table is sourced from UniChem at EBI.