Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H16BrNO3/c1-22-14-5-3-12(4-6-14)11-20-8-7-15-16(18(21)23-2)9-13(19)10-17(15)20/h3-10H,11H2,1-2H3
SMILES COc1ccc(cc1)Cn1ccc2c1cc(Br)cc2C(=O)OC
InChI Key NSLHWLLKHINCSE-UHFFFAOYSA-N
Molecular Formula C18H16BrNO3
Exact Mass 374.229 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NSLHWLLKHINCSE-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NSLHWLLKHINCSE-UHFFFAOYSA-N/CHMO0000630
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:22:42.509653
MetadataModified 2024-09-08T01:22:42.509658
MetadataPublished 2023-07-31
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables