Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C21H22O7/c1-3-25-19(22)13-27-17-9-5-15(6-10-17)21(24)16-7-11-18(12-8-16)28-14-20(23)26-4-2/h5-12H,3-4,13-14H2,1-2H3
SMILES CCOC(=O)COc1ccc(cc1)C(=O)c1ccc(cc1)OCC(=O)OCC
InChI Key BWODPOTYOXPKDH-UHFFFAOYSA-N
Molecular Formula C21H22O7
Exact Mass 386.395 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BWODPOTYOXPKDH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BWODPOTYOXPKDH-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:25:30.380975
MetadataModified 2024-09-07T12:34:34.112950
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16039498 PubChem: Thomson Pharma
SCHEMBL16035326 SureChEMBL
10981924 PubChem
J2.554.616D Nikkaji
The data in this table is sourced from UniChem at EBI.