Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H27NS/c1-15(22(2)3)20-13-16-5-9-18(20)10-6-17-8-12-19(11-7-16)21(14-17)23-4/h5,8-9,12-15H,6-7,10-11H2,1-4H3
SMILES CSc1cc2CCc3ccc(CCc1cc2)cc3C(N(C)C)C
InChI Key VCYXYCZXZKJVTD-UHFFFAOYSA-N
Molecular Formula C21H27NS
Exact Mass 325.511 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VCYXYCZXZKJVTD-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VCYXYCZXZKJVTD-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N,N-dimethyl-1-(11-methylsulfanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethanamine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453491 pubchem
    The data in this table is sourced from UniChem at EBI.