Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C31H49FO2Si/c1-28(2,3)35(6,7)34-24-14-17-29(4)22(20-24)10-13-25-26(29)15-18-30(5)27(25)16-19-31(30,33)21-8-11-23(32)12-9-21/h8-9,11-12,22,24-27,33H,10,13-20H2,1-7H3/t22-,24-,25+,26-,27-,29-,30-,31+/m0/s1
SMILES Fc1ccc(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 YDEWUEPGCKZBMQ-KZMMIWITSA-N
Molecular Formula C31H49FO2Si
Exact Mass 500.803 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YDEWUEPGCKZBMQ-KZMMIWITSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YDEWUEPGCKZBMQ-KZMMIWITSA-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-17-(4-fluorophenyl)-10,13-dimethyl-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
    138453606 PubChem
    The data in this table is sourced from UniChem at EBI.