Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14?,15+,16+,18+,19+/m1/s1
SMILES O=C1CC[C@@H]2[C@]1(C)CC[C@H]1C2CC[C@@H]2[C@]1(C)CC=CC2
InChI Key ISJVDMWNISUFRJ-QCYJEHGMSA-N
Molecular Formula C19H28O
Exact Mass 272.425 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ISJVDMWNISUFRJ-QCYJEHGMSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ISJVDMWNISUFRJ-QCYJEHGMSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • (5S,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646780 pubchem
    The data in this table is sourced from UniChem at EBI.