Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C18H21BrN4O2/c1-18(2,3)22-17-16(21-15-10-20-6-7-23(15)17)11-8-13(24-4)14(25-5)9-12(11)19/h6-10,22H,1-5H3
SMILES COc1cc(c(cc1OC)Br)c1nc2n(c1NC(C)(C)C)ccnc2
InChI Key BXFGUOURKQXMMO-UHFFFAOYSA-N
Molecular Formula C18H21BrN4O2
Exact Mass 405.289 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0000763.1
License URL
Source https://www.chemotion-repository.net/inchikey/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0000763.1
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:16:35.980869
MetadataModified 2024-09-08T00:13:56.446277
MetadataPublished 2023-01-23
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables