Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H31N/c1-14(2)16-7-6-15-8-9-18-19(3,13-21)10-5-11-20(18,4)17(15)12-16/h6-7,12,14,18H,5,8-11,13,21H2,1-4H3/t18-,19+,20+/m0/s1
SMILES NC[C@@]1(C)CCC[C@]2([C@H]1CCc1c2cc(cc1)C(C)C)C
InChI Key VDKNTIGOXMCFRI-XUVXKRRUSA-N
Molecular Formula C20H31N
Exact Mass 285.467 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VDKNTIGOXMCFRI-XUVXKRRUSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VDKNTIGOXMCFRI-XUVXKRRUSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • [(1S,4aS,10aR)-1,4a-dimethyl-6-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453737 PubChem
    The data in this table is sourced from UniChem at EBI.