Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C29H36O/c1-28-16-14-21(30)18-20(28)10-11-24-26-13-12-25(29(26,2)17-15-27(24)28)23-9-5-7-19-6-3-4-8-22(19)23/h3-9,12,20-21,24,26-27,30H,10-11,13-18H2,1-2H3/t20-,21-,24-,26-,27-,28-,29+/m0/s1
SMILES O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1cccc2c1cccc2)C)C
InChI Key LUJCLVQAVWEEER-FJTVDOQRSA-N
Molecular Formula C29H36O
Exact Mass 400.596 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LUJCLVQAVWEEER-FJTVDOQRSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LUJCLVQAVWEEER-FJTVDOQRSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-naphthalen-1-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.611.138K Nikkaji
    132991956 PubChem
    The data in this table is sourced from UniChem at EBI.