Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C57H81N3O3/c1-40(61-58-52(4,5)31-16-32-53(58,6)7)43-19-25-46(26-20-43)49-37-50(47-27-21-44(22-28-47)41(2)62-59-54(8,9)33-17-34-55(59,10)11)39-51(38-49)48-29-23-45(24-30-48)42(3)63-60-56(12,13)35-18-36-57(60,14)15/h19-30,37-42H,16-18,31-36H2,1-15H3
SMILES CC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)ON1C(C)(C)CCCC1(C)C
InChI Key NTWYDSOHASEYID-UHFFFAOYSA-N
Molecular Formula C57H81N3O3
Exact Mass 856.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NTWYDSOHASEYID-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NTWYDSOHASEYID-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-[1-[4-[3,5-bis[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101119431 pubchem
    The data in this table is sourced from UniChem at EBI.