Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C27H21NOS2/c1-29-25-16-14-24(15-17-25)28(22-10-6-20(7-11-22)26-4-2-18-30-26)23-12-8-21(9-13-23)27-5-3-19-31-27/h2-19H,1H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)c1cccs1)c1ccc(cc1)c1cccs1
InChI Key MXMNPLMVKQOFRH-UHFFFAOYSA-N
Molecular Formula C27H21NOS2
Exact Mass 439.592 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MXMNPLMVKQOFRH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/MXMNPLMVKQOFRH-UHFFFAOYSA-N/CHMO0000630
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
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    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.