Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C44H34N8/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H,45-48H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
SMILES Nc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1)N)/C=C3)\c1ccc(cc1)N)/[nH]2)/c1ccc(cc1)N
InChI Key REPFNYFEIOZRLM-LWQDQPMZSA-N
Molecular Formula C44H34N8
Exact Mass 674.794 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/REPFNYFEIOZRLM-LWQDQPMZSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/REPFNYFEIOZRLM-LWQDQPMZSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:15:24.326155
MetadataModified 2024-09-07T15:20:20.774940
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables