Dataset

infrared absorption spectroscopy (IR) ()

dataset for infrared absorption spectroscopy (IR)

Chemical Info

molecular Image
InChI InChI=1S/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;
SMILES C[n+]1ccc(/C=C/c2cc3c(/C=C/c4cc[n+](C)cc4)cc2CCc2cc(/C=C/c4cc[n+](C)cc4)c(cc2/C=C/c2cc[n+](C)cc2)CC3)cc1.[I-].[I-].[I-].[I-]
InChI Key NBCOVCGBTURKLD-IKEUXFGVSA-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 2024-07-14T02:18:28.433242
MetadataModified 2024-07-14T02:18:28.433247
MetadataPublished
Field Value
Measurement Technique
Measurement Variables