Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H12Br2/c21-17-9-15-16(10-18(17)22)20-12-6-2-1-5-11(12)19(15)13-7-3-4-8-14(13)20/h1-10,19-20H
SMILES Brc1cc2c(cc1Br)C1c3c(C2c2c1cccc2)cccc3
InChI Key QFESQSDROMKWED-UHFFFAOYSA-N
Molecular Formula C20H12Br2
Exact Mass 412.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QFESQSDROMKWED-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/QFESQSDROMKWED-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-08T03:04:04.571767
MetadataModified 2025-03-09T03:13:31.590296
MetadataPublished 2025-03-07
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