Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO4/c1-4-5-17-12(14)13-9-6-10(15-2)8-11(7-9)16-3/h4,6-8H,1,5H2,2-3H3,(H,13,14)
SMILES COc1cc(NC(=O)OCC=C)cc(c1)OC
InChI Key WSLOJDPASDBXGF-UHFFFAOYSA-N
Molecular Formula C12H15NO4
Exact Mass 237.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WSLOJDPASDBXGF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WSLOJDPASDBXGF-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • prop-2-enyl N-(3,5-dimethoxyphenyl)carbamate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    125464318 PubChem
    ZINC000584591547 ZINC
    The data in this table is sourced from UniChem at EBI.