Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H24Br2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14,19-20H,1-4H3
SMILES BrC(c1ccc(cc1)c1ccc(cc1)C(C(C)C)Br)C(C)C
InChI Key RKHGYDNLXFOQDI-UHFFFAOYSA-N
Molecular Formula C20H24Br2
Exact Mass 424.213 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RKHGYDNLXFOQDI-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/RKHGYDNLXFOQDI-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:40:02.742836
MetadataModified 2024-09-07T18:38:40.312378
MetadataPublished 2020-08-26
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
154573675 PubChem
The data in this table is sourced from UniChem at EBI.