Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C34H26O9/c35-31(23-13-5-1-6-14-23)40-21-27-29(42-33(37)25-17-9-3-10-18-25)30(43-34(38)26-19-11-4-12-20-26)28(22-39-27)41-32(36)24-15-7-2-8-16-24/h1-20,22,27,29-30H,21H2/t27?,29-,30-/m1/s1
SMILES O=C(c1ccccc1)O[C@@H]1C(OC=C([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
InChI Key HHNQKUIYTNDYHW-APHJAUFXSA-N
Molecular Formula C34H26O9
Exact Mass 578.565 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HHNQKUIYTNDYHW-APHJAUFXSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HHNQKUIYTNDYHW-APHJAUFXSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:21:02.277118
MetadataModified 2024-09-07T15:28:38.108838
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453599 PubChem
The data in this table is sourced from UniChem at EBI.