Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C22H17BrN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+
SMILES COC(=O)c1ccc(c(c1)/N=N/c1ccc(cc1)Br)c1ccc(cc1)C(=O)OC
InChI Key AHVHOQYOYHQYDL-OCOZRVBESA-N
Molecular Formula C22H17BrN2O4
Exact Mass 453.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AHVHOQYOYHQYDL-OCOZRVBESA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/AHVHOQYOYHQYDL-OCOZRVBESA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:59:28.115982
MetadataModified 2024-09-07T14:56:56.820306
MetadataPublished 2019-04-09
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