Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C25H32O7S/c1-4-33-25-24(31-17(2)26)23(30-15-18-8-6-5-7-9-18)22(27)21(32-25)16-29-14-19-10-12-20(28-3)13-11-19/h5-13,21-25,27H,4,14-16H2,1-3H3/t21-,22-,23+,24-,25+/m1/s1
SMILES CCS[C@@H]1O[C@H](COCc2ccc(cc2)OC)[C@H]([C@@H]([C@H]1OC(=O)C)OCc1ccccc1)O
InChI Key GJKFWXCOBDISCW-RXFVIIJJSA-N
Molecular Formula C25H32O7S
Exact Mass 476.582 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJKFWXCOBDISCW-RXFVIIJJSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GJKFWXCOBDISCW-RXFVIIJJSA-N/IR
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:44:29.077948
MetadataModified 2024-09-07T12:11:03.105307
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427296 PubChem
The data in this table is sourced from UniChem at EBI.