Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C34H37NO5/c35-31-33(38-23-28-17-9-3-10-18-28)32(37-22-27-15-7-2-8-16-27)30(25-36-21-26-13-5-1-6-14-26)40-34(31)39-24-29-19-11-4-12-20-29/h1-20,30-34H,21-25,35H2/t30-,31-,32-,33-,34?/m1/s1
SMILES N[C@H]1C(OCc2ccccc2)O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
InChI Key DYDAVEMWGWFNJE-WAPOLKSXSA-N
Molecular Formula C34H37NO5
Exact Mass 539.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DYDAVEMWGWFNJE-WAPOLKSXSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DYDAVEMWGWFNJE-WAPOLKSXSA-N/IR
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:43:54.358622
MetadataModified 2024-09-07T12:09:32.481758
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL5555711 SureChEMBL
23377115 PubChem
The data in this table is sourced from UniChem at EBI.