Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C42H38N6O2/c1-41(2,3)45-39-35(43-32-18-9-11-22-47(32)39)29-16-13-17-30(36-40(46-42(4,5)6)48-23-12-10-19-33(48)44-36)34(29)25-20-21-28-31(24-25)38(50)27-15-8-7-14-26(27)37(28)49/h7-24,45-46H,1-6H3
SMILES O=C1c2ccc(cc2C(=O)c2c1cccc2)c1c(cccc1c1nc2n(c1NC(C)(C)C)cccc2)c1nc2n(c1NC(C)(C)C)cccc2
InChI Key VLUUBVCNQAEJDL-UHFFFAOYSA-N
Molecular Formula C42H38N6O2
Exact Mass 658.790 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VLUUBVCNQAEJDL-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/VLUUBVCNQAEJDL-UHFFFAOYSA-N/CHMO0000630
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:39:59.658802
MetadataModified 2024-09-08T01:39:59.658808
MetadataPublished 2023-10-02
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables