Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-9-7-15(21)11-17(19)18-12-16(22)8-10-20(18)23/h7-12,14H,3-6,13H2,1-2H3
SMILES CCCCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CC
InChI Key ZDFZWZGIGKUBRA-UHFFFAOYSA-N
Molecular Formula C20H23Br2N
Exact Mass 437.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZDFZWZGIGKUBRA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ZDFZWZGIGKUBRA-UHFFFAOYSA-N/CHMO0000630
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-25T11:57:03.993323
MetadataModified 2025-02-25T12:03:53.182560
MetadataPublished
Related Molecule