Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H21NO/c1-18(2)16-12-8-11-15(13-16)17(19)14-9-6-4-3-5-7-10-14/h3-4,8,10-13H,5-7,9H2,1-2H3/b4-3-,14-10+
SMILES O=C(c1cccc(c1)N(C)C)C1=CCCC=CCC1
InChI Key PBTXXVFXWAJEJI-QKKCAOIGSA-N
Molecular Formula C17H21NO
Exact Mass 255.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PBTXXVFXWAJEJI-QKKCAOIGSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PBTXXVFXWAJEJI-QKKCAOIGSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • [(1E,5Z)-cycloocta-1,5-dien-1-yl]-[3-(dimethylamino)phenyl]methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453691 pubchem
    The data in this table is sourced from UniChem at EBI.