Dataset

infrared absorption spectroscopy (IR) ()

dataset for infrared absorption spectroscopy (IR)

Chemical Info

molecular Image
InChI InChI=1S/C48H48N4.4HI/c1-49-25-5-9-37(33-49)13-17-41-29-46-23-24-48-32-43(19-15-39-11-7-27-51(3)35-39)47(31-44(48)20-16-40-12-8-28-52(4)36-40)22-21-45(41)30-42(46)18-14-38-10-6-26-50(2)34-38;;;;/h5-20,25-36H,21-24H2,1-4H3;4*1H/q+4;;;;/p-4/b17-13+,18-14+,19-15+,20-16+;;;;
SMILES C[n+]1cccc(/C=C/c2cc3c(/C=C/c4ccc[n+](C)c4)cc2CCc2cc(/C=C/c4ccc[n+](C)c4)c(cc2/C=C/c2ccc[n+](C)c2)CC3)c1.[I-].[I-].[I-].[I-]
InChI Key JSESGCFTBCUELB-YXGITGLMSA-J
Molecular Formula C48H48I4N4

Data and Resources

Related Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author Wang, Yichuan
Maintainer chemotion-repository
Language en
MetadataCreated 2024-07-14T02:16:58.053211
MetadataModified 2024-07-14T02:16:58.053216
MetadataPublished
Field Value
Measurement Technique
Measurement Variables