Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H17NO3S/c1-2-18-13(16)15-19(17,12-6-4-3-5-7-12)14-8-11(9-14)10-14/h3-7,11H,2,8-10H2,1H3
SMILES CCOC(=O)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key NWTHAPVAOQANKX-UHFFFAOYSA-N
Molecular Formula C14H17NO3S
Exact Mass 279.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NWTHAPVAOQANKX-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NWTHAPVAOQANKX-UHFFFAOYSA-N/CHMO0000630
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • ethyl N-(1-bicyclo[1.1.1]pentanyl-oxo-phenyl-lambda6-sulfanylidene)carbamate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926374 pubchem
    The data in this table is sourced from UniChem at EBI.