Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C63H93N3O3/c1-43(2)55(67-64-58(7,8)34-19-35-59(64,9)10)49-28-22-46(23-29-49)52-40-53(47-24-30-50(31-25-47)56(44(3)4)68-65-60(11,12)36-20-37-61(65,13)14)42-54(41-52)48-26-32-51(33-27-48)57(45(5)6)69-66-62(15,16)38-21-39-63(66,17)18/h22-33,40-45,55-57H,19-21,34-39H2,1-18H3
SMILES CC(C(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)ON1C(C)(C)CCCC1(C)C)C
InChI Key UODLICXQAZWDDJ-UHFFFAOYSA-N
Molecular Formula C63H93N3O3
Exact Mass 940.431 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UODLICXQAZWDDJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/UODLICXQAZWDDJ-UHFFFAOYSA-N/CHMO0000470
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-[1-[4-[3,5-bis[4-[2-methyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]phenyl]phenyl]phenyl]-2-methylpropoxy]-2,2,6,6-tetramethylpiperidine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154573664 PubChem
    The data in this table is sourced from UniChem at EBI.