Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-9-5-4-7(14)6-8(9)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
SMILES O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)O
InChI Key RYABQTATLDLRQX-UHFFFAOYSA-N
Molecular Formula C12H15NO5
Exact Mass 253.251 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RYABQTATLDLRQX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RYABQTATLDLRQX-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1767849 surechembl
    31619048 surechembl
    2757220 pubchem
    Molport-000-152-502 molport
    The data in this table is sourced from UniChem at EBI.