Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C32H52O2Si/c1-22-9-11-23(12-10-22)32(33)20-17-28-26-14-13-24-21-25(34-35(7,8)29(2,3)4)15-18-30(24,5)27(26)16-19-31(28,32)6/h9-12,24-28,33H,13-21H2,1-8H3/t24-,25-,26+,27-,28-,30-,31-,32+/m0/s1
SMILES Cc1ccc(cc1)[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O[Si](C(C)(C)C)(C)C
InChI Key RXXVHGQYADKFHE-YXKMOMTMSA-N
Molecular Formula C32H52O2Si
Exact Mass 496.840 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RXXVHGQYADKFHE-YXKMOMTMSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RXXVHGQYADKFHE-YXKMOMTMSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (3S,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-(4-methylphenyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453740 pubchem
    The data in this table is sourced from UniChem at EBI.