Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C36H42O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24,34-39H,1-6H3
SMILES OC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(C(C)C)O)c1ccc(cc1)C(C(C)C)O)C(C)C
InChI Key GZTZPWJYEBUERP-UHFFFAOYSA-N
Molecular Formula C36H42O3
Exact Mass 522.717 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GZTZPWJYEBUERP-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/GZTZPWJYEBUERP-UHFFFAOYSA-N/CHMO0000630
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-[4-[3,5-bis[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154573660 PubChem
    The data in this table is sourced from UniChem at EBI.