Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C41H52O4/c1-25(2)37(42)29-9-17-33(18-10-29)41(34-19-11-30(12-20-34)38(43)26(3)4,35-21-13-31(14-22-35)39(44)27(5)6)36-23-15-32(16-24-36)40(45)28(7)8/h9-28,37-40,42-45H,1-8H3
SMILES OC(c1ccc(cc1)C(c1ccc(cc1)C(C(C)C)O)(c1ccc(cc1)C(C(C)C)O)c1ccc(cc1)C(C(C)C)O)C(C)C
InChI Key NUUHPRIKYBNSTK-UHFFFAOYSA-N
Molecular Formula C41H52O4
Exact Mass 608.849 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NUUHPRIKYBNSTK-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NUUHPRIKYBNSTK-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 2-methyl-1-[4-[tris[4-(1-hydroxy-2-methylpropyl)phenyl]methyl]phenyl]propan-1-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154573671 pubchem
    The data in this table is sourced from UniChem at EBI.